Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Pharmaceutical Intermediates  /  Pharmaceuticals and Biochemicals
1H-Indole,4-bromo-1-ethyl-6-methoxy-7-(methoxymethoxy)-2,3-dimethyl- structure
1H-Indole,4-bromo-1-ethyl-6-methoxy-7-(methoxymethoxy)-2,3-dimethyl- structure

1H-Indole,4-bromo-1-ethyl-6-methoxy-7-(methoxymethoxy)-2,3-dimethyl-

Iupac Name:carbanide;(5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphanium;palladium;(2-phenylphenyl)azanide
CAS No.:1375325-77-1
Molecular Weight:868.306
1. Names and Identifiers
1.1 Name
1H-Indole,4-bromo-1-ethyl-6-methoxy-7-(methoxymethoxy)-2,3-dimethyl-
1.2 CAS No.
1375325-77-1
1.3 CID
138114462
1.4 Molecular Formula
C12H10O3S2 (isomer)
1.5 Inchi
InChI=1S/C39H32OP2.C12H10N.ClH.Pd/c1-39(2)33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)40-38-34(39)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;;/h3-28H,1-2H3;1-6,8-9H,13H2;1H;/p-1
1.6 InChkey
YAXSYUPNIVDSLS-UHFFFAOYSA-M
1.7 Canonical Smiles
CC1(C2=C(C(=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)OC5=C1C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7)C.C1=CC=C([C]=C1)C2=CC=CC=C2N.[Cl-].[Pd]
1.8 Isomers Smiles
CC1(C2=C(C(=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)OC5=C1C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7)C.C1=CC=C([C]=C1)C2=CC=CC=C2N.[Cl-].[Pd]
2. Properties
2.1 Melting Point
188-196 (decomposition)
3. Computational chemical data
  • Molecular Weight:868.306g/mol
  • Molecular Formula:C12H10O3S2
  • Compound Is Canonicalized:True
  • Exact Mass:867.201
  • Monoisotopic Mass:867.201
  • Complexity:1240
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:10.2A^2
  • Heavy Atom Count:57
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:4
  • CACTVS Substructure Key Fingerprint: AAADcfB+IAMAAAAAAAgAAAAAAAAAAAAAAAA8aMGDAAAAAACxVAAAHggQAAAQDgyBmAAyxoBABCCA AiRCQACCCAAgIgAIiAAEbIgMJiKEsZuCOCDk0BEI6AeQwOAPgAAAAAAKAAAAAAAAABQAAAAAAAAA AA==
4. Recommended Suppliers
Global11SuppliersView all >>
  • Products:Veterinary products,Nutrition products,Agrochemicals,Active pharmaceutical Ingredients,Custom systhesis,Contract manufacturing
  • Tel:86-571-85829152
  • Email:market@royalpharms.com
Chloro[(4,5-bis(diphenylphosphino)-9,9-dimethylxanthene)(2-amino-1,1-biphenyl-2-yl)palladium(II)
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 2423 USD/Kilogram
  • Time: 2020/07/01
Inquire
  • Products:Our company is an internationally oriented research based pharmaceutical company with headquarters located in Hangzhou,China.
  • Tel:86-571-87758773
  • Email:balas@utanpharma.com
  • Products:API & API intermediates
  • Tel:86-21-33758180
  • Tel:156 330 66222
Chloro[(4,5-bis(diphenylphosphino)-9,9-dimethylxanthene)-2-(2-amino-1,1-biphenyl)]palladium(II)
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Metric Ton
  • Time: 2019/02/24
Inquire