CAS RN: 855756-90-0
2′-Acetamidobiphenyl-3-carboxylic 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.20260308 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS855756-90-0
- Purity/Analytical Methods: >99.0%
855756-90-0 / 3-(2-acetamidophenyl)benzoic acid
Basic Information
CAS
855756-90-0
Multi CAS
Yes
Molecular Formula
C15H13NO3
Molecular Weight
255.270000
Exact Mass
255.089543
InChI
InChI=1S/C15H13NO3/c1-10(17)16-14-8-3-2-7-13(14)11-5-4-6-12(9-11)15(18)19/h2-9H,1H3,(H,16,17)(H,18,19)
InChIKey
VFGSKBFJJVRRQN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
73.14
TPSA
66.4
LogP / Solubility
WLOGP
3.01
MLOGP
2.66
XLogP3
1.5
Consensus LogP
2.39
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.18
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)
-2.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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