CAS RN: 168619-03-2
2′-CHLORO-BIPHENYL-3-CARBOXYLIC ACID
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250321 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS168619-03-2
- Purity/Analytical Methods: >99.0%
168619-03-2 / 3-(2-chlorophenyl)benzoic acid
Basic Information
CAS
168619-03-2
Multi CAS
No
Molecular Formula
C13H9ClO2
Molecular Weight
232.660000
Exact Mass
232.029107
SMILES
C1=CC=C(C(=C1)C2=CC(=CC=C2)C(=O)O)Cl
InChI
InChI=1S/C13H9ClO2/c14-12-7-2-1-6-11(12)9-4-3-5-10(8-9)13(15)16/h1-8H,(H,15,16)
InChIKey
XGEMSZNXYHULJU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
63.85
TPSA
37.3
LogP / Solubility
WLOGP
3.71
MLOGP
3.26
XLogP3
3.9
Consensus LogP
3.62
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.49
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.51
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
-
3′-FLUORO-BIPHENYL-3-CARBOXYLIC ACID
- CAS RN: 168619-04-3
- Product Code: starshine_CAS168619-04-3
- Purity/Analytical method: >99.0%
-
-
-
-
1H-Imidazole-4-acetic acid, 1-(triphenylmethyl)-
- CAS RN: 168632-03-9
- Product Code: SSC-073476
-
CARCINOEMBRYONIC ANTIGEN (CEA)
- CAS RN: 168635-85-6
- Product Code: starshine_CAS168635-85-6
- Purity/Analytical method: >99.0%
