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CAS 956103-79-0 Cochinchinenin C molecular structure lightbox
CAS RN: 956103-79-0

Cochinchinenin C

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Batchno.20250909 100mg Out of stock Inquiry
  • Product code: starshine_CAS956103-79-0
  • Purity/Analytical Methods: >99.0%
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956103-79-0 / 3-[4-hydroxy-5-[3-(4-hydroxy-2-methoxyphenyl)-1-(4-methoxyphenyl)propyl]-2-methoxyphenyl]-1-(4-hydroxyphenyl)propan-1-one

Standard CAS: 956103-79-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
956103-79-0
Multi CAS
No
Molecular Formula
C33H34O7
Molecular Weight
542.600000
Exact Mass
542.230453
InChI
InChI=1S/C33H34O7/c1-38-27-14-7-21(8-15-27)28(16-9-23-6-13-26(35)19-32(23)39-2)29-18-24(33(40-3)20-31(29)37)10-17-30(36)22-4-11-25(34)12-5-22/h4-8,11-15,18-20,28,34-35,37H,9-10,16-17H2,1-3H3
InChIKey
SLJWKFROLINAGW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
24
Fraction Csp3
0.24
Rotatable bonds
12
H-bond acceptors
7
H-bond donors
3
Molar refractivity
153.23
TPSA
105.45

LogP / Solubility

WLOGP
6.41
MLOGP
5.68
XLogP3
6.6
Consensus LogP
6.23
Log S (ESOL)
-6.89
Class (ESOL)
Insoluble
Log S (Ali)
-8.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.95
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.48

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5

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