CAS RN: 728918-66-9
3-BIPHENYL-3′-ACETYL-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.20250218 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS728918-66-9
- Purity/Analytical Methods: >99.0%
728918-66-9 / 3-(3-acetylphenyl)benzoic acid
Basic Information
CAS
728918-66-9
Multi CAS
Yes
Molecular Formula
C15H12O3
Molecular Weight
240.250000
Exact Mass
240.078644
InChI
InChI=1S/C15H12O3/c1-10(16)11-4-2-5-12(8-11)13-6-3-7-14(9-13)15(17)18/h2-9H,1H3,(H,17,18)
InChIKey
NJNGKNDRAKDMQB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
68.84
TPSA
54.37
LogP / Solubility
WLOGP
3.25
MLOGP
2.87
XLogP3
2.8
Consensus LogP
2.97
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.28
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
4′-TRIFLUOROMETHOXY-BIPHENYL-4-CARBOXYLIC ACID
- CAS RN: 728919-11-7
- Product Code: starshine_CAS728919-11-7
- Purity/Analytical method: >99.0%
-
-
4-(2,4-Dimethoxyphenyl)benzaldehyde
- CAS RN: 728919-17-3
- Product Code: starshine_CAS728919-17-3
- Purity/Analytical method: >99.0%
-
3′,4′-DIMETHYL-BIPHENYL-3-CARBOXYLIC ACID
- CAS RN: 728919-21-9
- Product Code: starshine_CAS728919-21-9
- Purity/Analytical method: >99.0%
-
3-(6-(Methoxycarbonyl)naphthalen-2-yl)benzaldehyde
- CAS RN: 728919-26-4
- Product Code: starshine_CAS728919-26-4
- Purity/Analytical method: >99.0%
-
3-(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(4-trifluoromethyl-phenyl)-propanoic acid
- CAS RN: 728919-94-6
- Product Code: starshine_CAS728919-94-6
- Purity/Analytical method: >99.0%
![CAS 728919-94-6 3-(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(4-trifluoromethyl-phenyl)-propanoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/728919-94-6.gif)