CAS RN: 143207-76-5

(Z)-3-Hydroxy-5-Methoxystilbene

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Batchno.20250417 1mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS143207-76-5
  • Purity/Analytical Methods: >99.0%
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143207-76-5 / 3-methoxy-5-[(Z)-2-phenylethenyl]phenol

Standard CAS: 143207-76-5 Multi CAS: No

Basic Information

CAS
143207-76-5
Multi CAS
No
Molecular Formula
C15H14O2
Molecular Weight
226.270000
Exact Mass
226.099380
SMILES
COC1=CC(=CC(=C1)O)/C=C\C2=CC=CC=C2
InChI
InChI=1S/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3/b8-7-
InChIKey
JVIXPWIEOVZVJC-FPLPWBNLSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
70.03
TPSA
29.46

LogP / Solubility

WLOGP
3.57
MLOGP
3.15
XLogP3
3.8
Consensus LogP
3.51
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.99
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.45
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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