![CAS 63024-50-0 [1,1′-Biphenyl]-4-propanoic acid, α-(acetylamino)-, (±)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/63024-50-0.gif)
CAS RN: 63024-50-0
[1,1′-Biphenyl]-4-propanoic acid, α-(acetylamino)-, (±)-
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.20250316 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS63024-50-0
- Purity/Analytical Methods: >99.0%
63024-50-0 / 2-acetamido-3-(4-phenylphenyl)propanoic acid
Basic Information
CAS
63024-50-0
Multi CAS
No
Molecular Formula
C17H17NO3
Molecular Weight
283.320000
Exact Mass
283.120843
InChI
InChI=1S/C17H17NO3/c1-12(19)18-16(17(20)21)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10,16H,11H2,1H3,(H,18,19)(H,20,21)
InChIKey
HDNGVBPPMAZUMI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.18
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
80.82
TPSA
66.4
LogP / Solubility
WLOGP
2.49
MLOGP
2.2
XLogP3
2.2
Consensus LogP
2.3
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.16
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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