CAS RN: 4237-44-9
o-(1-phenylethyl)phenol
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260611 | 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS4237-44-9
- Purity/Analytical Methods: >99.0%
4237-44-9 / 2-(1-phenylethyl)phenol
Basic Information
CAS
4237-44-9
Multi CAS
Yes
Molecular Formula
C14H14O
Molecular Weight
198.260000
Exact Mass
198.104465
InChI
InChI=1S/C14H14O/c1-11(12-7-3-2-4-8-12)13-9-5-6-10-14(13)15/h2-11,15H,1H3
InChIKey
WYZIVNCBUWDCOZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
62.07
TPSA
20.23
LogP / Solubility
WLOGP
3.54
MLOGP
3.12
XLogP3
4
Consensus LogP
3.55
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)
-1.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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