CAS RN: 13632-62-7
1-(4-Methoxyphenyl)-1-phenylprop-2-yn-1-ol
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.20260125 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS13632-62-7
- Purity/Analytical Methods: >99.0%
13632-62-7 / 1-(4-methoxyphenyl)-1-phenylprop-2-yn-1-ol
Basic Information
CAS
13632-62-7
Multi CAS
No
Molecular Formula
C16H14O2
Molecular Weight
238.280000
Exact Mass
238.099380
SMILES
COC1=CC=C(C=C1)C(C#C)(C2=CC=CC=C2)O
InChI
InChI=1S/C16H14O2/c1-3-16(17,13-7-5-4-6-8-13)14-9-11-15(18-2)12-10-14/h1,4-12,17H,2H3
InChIKey
GFXPTJXRUZIADA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
71.27
TPSA
29.46
LogP / Solubility
WLOGP
2.56
MLOGP
2.26
XLogP3
2.8
Consensus LogP
2.54
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.7
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)
-2.35
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
2
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