Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Syntheses Material Intermediates  /  Pharmaceutical Intermediates  /  Others  /  Herbal Extract  /  Others
F3398-5698 structure
F3398-5698 structure

F3398-5698

Iupac Name:(E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
CAS No.: 569-83-5
Molecular Weight:354.4
Modify Date.: 2022-02-11 23:32
1. Names and Identifiers
1.1 Name
F3398-5698
1.2 Synonyms

AKOS004940174 MCULE-7927590295 MOLPORT-009-709-961 n-(2,5-difluorophenyl)-2-((6-(2-methoxybenzyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl)thio)acetamide n-(2,5-difluorophenyl)-2-({6-[(2-methoxyphenyl)methyl]-4-oxo-3h,5h,7h,8h-pyrido[4,3-d]pyrimidin-2-yl}sulfanyl)acetamide n-(2,5-difluorophenyl)-2-{[6-(2-methoxybenzyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl}acetamide n-(2,5-difluorophenyl)-2-{[6-(2-methoxybenzyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl]thio}acetamide STL128951 VU0620723-1 ZINC33331788

1.3 CAS No.
569-83-5
1.4 CID
639665
1.5 Molecular Formula
C14H16N4O2 (isomer)
1.6 Inchi
InChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+
1.7 InChkey
ORXQGKIUCDPEAJ-YRNVUSSQSA-N
1.8 Canonical Smiles
CC(=CCC1=C(C(=C(C=C1O)OC)C(=O)C=CC2=CC=C(C=C2)O)O)C
1.9 Isomers Smiles
CC(=CCC1=C(C(=C(C=C1O)OC)C(=O)/C=C/C2=CC=C(C=C2)O)O)C
2. Properties
3.1 Melting point
Mp 172 °
3.1 Precise Quality
354.14700
3.1 PSA
86.99000
3.1 logP
4.21680
3. Computational chemical data
  • Molecular Weight: 354.4g/mol
  • Molecular Formula: C14H16N4O2
  • Compound Is Canonicalized: True
  • XLogP3-AA: 5.1
  • Exact Mass: 354.14672380
  • Monoisotopic Mass: 354.14672380
  • Complexity: 515
  • Rotatable Bond Count: 6
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Topological Polar Surface Area: 87
  • Heavy Atom Count: 26
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 1
  • CACTVS Substructure Key Fingerprint: AAADceB4OAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGgAACAAADASAmAIyBoAABgCIAqBSAAACCAAkIAAIiAEGCMgMJzaGNRqAcWAl4BUIuYeI7OzOIAACCAAIAABAAAQQABAAAAAAAAAAAA==
4. Recommended Suppliers
Global17SuppliersView all >>
  • Products:API, Pharmaceutical intermediates, photoelectronic Materials
  • Tel:86-21-60542966
Xanthohumol
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/gram
  • Time: 2017/06/28
Inquire
  • Products:Career Henan Chemical Co, facing global High-tech pharmaceutical raw materials, high complex new type intermediates, fine chemicals custom synthesis, scale-up production and Rare chemicals trade.
  • Tel:86-371-86658258
XANTHOHUMOL
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 2 USD/kilogram
  • Time: 2019/05/21
Inquire
  • Products:Polygala series; ginsenosides series; saikosaponin series; polyphyllins series; Chuanxiong series; Cistanche series; Schisandra series; rhubarb series etc.
  • Tel:86-28-87075086
Xanthohumol
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 RMB/gram
  • Time: 2015/01/12
Inquire
  • Products:Plant extracts, Drug health food raw material, Pharmaceutical intermediates, Chinese herb extract
  • Tel:86-29-88891596
Xanthahumol
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2014/03/26
Inquire
  • Tel:86-431-81915458
XANTHOHUMOL
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/02/25
Inquire
5. Realated Product Infomation