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Home> Hot Product Listed 4   > 4,14-dimethylcholest-4-en-3-one
1286710-91-5 structure

4,14-dimethylcholest-4-en-3-one

Iupac Name:N-(3,4-dimethyl-2-oxo-1H-quinolin-7-yl)-1,3-benzothiazole-2-carboxamide
CAS No.:1286710-91-5
Molecular Weight:349.408
Molecular Formula:C29H29N3O3 (isomer)
Names and Identifiers
Synonyms

4,10,13,14-tetramethyl-17-(6-methylheptan-2-yl)-2,6,7,8,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one AC1L5VM4 AC1Q6OAG AR-1F7352 NSC135132 NSC-135132

Inchi
InChI=1S/C19H15N3O2S/c1-10-11(2)17(23)21-15-9-12(7-8-13(10)15)20-18(24)19-22-14-5-3-4-6-16(14)25-19/h3-9H,1-2H3,(H,20,24)(H,21,23)
InChkey
MQTBTVHVKJIBMR-UHFFFAOYSA-N
Canonical Smiles
CC1=C(C(=O)NC2=C1C=CC(=C2)NC(=O)C3=NC4=CC=CC=C4S3)C
Properties
Density
1.23
Flash Point
232.5°C
Computational chemical data
  • Molecular Weight:349.408g/mol
  • Molecular Formula:C29H29N3O3
  • Compound Is Canonicalized:True
  • Exact Mass:349.088
  • Monoisotopic Mass:349.088
  • Complexity:606
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:99.3A^2
  • Heavy Atom Count:25
  • 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:1
  • CACTVS Substructure Key Fingerprint: AAADccB7MABAAAAAAAAAAAAAAAAAAWAAAAAwYIAAAAAAAFiB9AAAHgQQAAAADAiB3gAywbLIEAis AyVyVACD8KBjCjhImD2wZNgIYKLg0fGUIAhglADoyQcQgIAOCAAAAAQCAQAQAAAACAQCAAAAAAAA AA==
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