CAS RN: 659-22-3
4,4′-DIHYDROXYSTILBENE
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: starshine_CAS659-22-3
- Purity/Analytical Methods: >99.0%
659-22-3 / 4-[2-(4-hydroxyphenyl)ethenyl]phenol
Basic Information
CAS
659-22-3
Multi CAS
Yes
Molecular Formula
C14H12O2
Molecular Weight
212.240000
Exact Mass
212.083730
InChI
InChI=1S/C14H12O2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h1-10,15-16H
InChIKey
XLAIWHIOIFKLEO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
65.14
TPSA
40.46
LogP / Solubility
WLOGP
3.27
MLOGP
2.88
XLogP3
3.5
Consensus LogP
3.22
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.66
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
Class (SILICOS-IT)
Poorly 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)
-1.69
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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