Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Pharmaceutical Intermediates  /  Pharmaceutical  /  Organic Intermediate  /  Hormones and synthetic substitutes  /  Pharmaceuticals and Biochemicals
Quercetin 3’,7-Di-O-Benzyl Ether structure
Quercetin 3’,7-Di-O-Benzyl Ether structure

Quercetin 3’,7-Di-O-Benzyl Ether

Iupac Name:2-[(3S,6S,12S,20R,23S)-20-carbamoyl-12-[4-(diaminomethylideneamino)butyl]-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,22-hexaoxo-17,18-dithia-1,4,7,10,13,21-hexazabicyclo[21.3.0]hexacosan-6-yl]acetic acid
CAS No.:148031-34-9
Molecular Weight:831.96200
1. Names and Identifiers
1.1 Name
Quercetin 3’,7-Di-O-Benzyl Ether
1.2 Synonyms

4H-1-Benzopyran-4-one, 3,5-dihydroxy-2-[4-hydroxy-3-(phenylmethoxy)phenyl]-7-(phenylmethoxy)-

1.3 CAS No.
148031-34-9
1.4 CID
123610
1.5 Molecular Formula
C15H18O7 (isomer)
1.6 Inchi
InChI=1S/C35H49N11O9S2/c36-30(51)25-18-57-56-13-10-27(47)42-22(8-3-4-11-39-35(37)38)31(52)41-17-28(48)43-23(15-29(49)50)32(53)44-24(14-19-16-40-21-7-2-1-6-20(19)21)34(55)46-12-5-9-26(46)33(54)45-25/h1-2,6-7,16,22-26,40H,3-5,8-15,17-18H2,(H2,36,51)(H,41,52)(H,42,47)(H,43,48)(H,44,53)(H,45,54)(H,49,50)(H4,37,38,39)
1.7 InChkey
CZKPOZZJODAYPZ-UHFFFAOYSA-N
1.8 Canonical Smiles
C1CC2C(=O)NC(CSSCCC(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N2C1)CC3=CNC4=CC=CC=C43)CC(=O)O)CCCCN=C(N)N)C(=O)N
1.9 Isomers Smiles
C1CC2C(=O)NC(CSSCCC(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N2C1)CC3=CNC4=CC=CC=C43)CC(=O)O)CCCCN=C(N)N)C(=O)N
2. Properties
3.1 Melting point
92-98°C
3.1 Boiling point
513.3±50.0 °C(Predicted)
3.1 Refractive index
1.742
3.1 Precise Quality
831.31600
3.1 PSA
374.49000
3.1 logP
1.62840
3. Safety and Handling
4.1 Risk Statements
R36/37/38; R22
4.1 Safety Statements
S26; S36/37/39
4.1 RIDADR
UN 2811 6.1/PG 3
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

5. Other Information
5.0 Uses
Quercetin 3’,7-Di-O-Benzyl Ether is an intermediate in the synthesis of 4''-O-Methyl Quercetin (M326580), which is a major metabolite of the flavanoid Quercetin (Q509500) with antioxidant properties. It helps to protect H9c2 cardiomyoblasts against H2O2-induced oxidative stress via the modulation of PI3K/Akt and ERK1/2 signaling pathways.
6. Computational chemical data
  • Molecular Weight:831.96200g/mol
  • Molecular Formula:C15H18O7
  • Compound Is Canonicalized:True
  • XLogP3-AA:_2.4
  • Exact Mass:831.31561453
  • Monoisotopic Mass:831.31561453
  • Complexity:1520
  • Rotatable Bond Count:10
  • Hydrogen Bond Donor Count:10
  • Hydrogen Bond Acceptor Count:12
  • Topological Polar Surface Area:377
  • Heavy Atom Count:57
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:5
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
7. Recommended Suppliers
Global194SuppliersView all >>
  • Products:high quality chemical raw materials, polymer functional modified materials, cosmetics production raw materials, new composite materials.
  • Tel:00-86-13283434511
  • Email:243531060@qq.com
cas 148031-34-9 Eptifibatide
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 80 USD/kilogram
  • Time: 2022/05/20
Inquire
  • Products:API
  • Tel:0086-27-59207850
  • Email:info@fortunachem.com
Factory low price Eptifibatide Cas 148031-34-9 with high quality and fast delivery
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 80 USD/kilogram
  • Time: 2022/05/20
Inquire
  • Products:chemical raw materials, veterinary drug raw materials, animal and plant extracts, pharmaceutical excipients, pharmaceutical products, food additives
  • Tel:86-182-37818276
  • Email:hnkanbeichemical@126.com
Eptifibatide
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/kilogram
  • Time: 2022/04/27
Inquire
  • Products:Chemical products, pharmaceutical intermediates, health food, fitness and muscle products research and development
  • Tel:86-00000-+8617065658228
  • Email:estella@ylbosstech.com
1-(3-DEptifibatide
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 60 USD/kilogram
  • Time: 2022/01/23
Inquire
  • Products:Pharmaceutical intermediates
  • Tel:86-0-18132009219
  • Email:jujin1@jjmaterial.com
Eptifibatide
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 60 USD/kilogram
  • Time: 2022/05/18
Inquire