CAS RN: 76425-88-2
trans-3-HYDROXYSTILBENE
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: starshine_CAS76425-88-2
- Purity/Analytical Methods: >99.0%
76425-88-2 / 3-(2-phenylethenyl)phenol
Basic Information
CAS
76425-88-2
Multi CAS
Yes
Molecular Formula
C14H12O
Molecular Weight
196.240000
Exact Mass
196.088815
InChI
InChI=1S/C14H12O/c15-14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h1-11,15H
InChIKey
XBHJTSIYYWRJFQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
63.48
TPSA
20.23
LogP / Solubility
WLOGP
3.56
MLOGP
3.13
XLogP3
3.9
Consensus LogP
3.53
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.13
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
![CAS 76429-73-7 2,3-Dihydrobenzo[b]furan-5-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/76429-73-7.gif)
