CAS RN: 29670-63-1
2-phenyl-2-(phenylformamido)acetic acid
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.20250516 | 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS29670-63-1
- Purity/Analytical Methods: >99.0%
29670-63-1 / 2-benzamido-2-phenylacetic acid
Basic Information
CAS
29670-63-1
Multi CAS
No
Molecular Formula
C15H13NO3
Molecular Weight
255.270000
Exact Mass
255.089543
InChI
InChI=1S/C15H13NO3/c17-14(12-9-5-2-6-10-12)16-13(15(18)19)11-7-3-1-4-8-11/h1-10,13H,(H,16,17)(H,18,19)
InChIKey
ACDLFRQZDTZESK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
70.73
TPSA
66.4
LogP / Solubility
WLOGP
2.24
MLOGP
1.98
XLogP3
2.5
Consensus LogP
2.24
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
