3-Chloro-4-pyrrolidinobenzoic acid
TL;DR: 3-Chloro-4-pyrrolidinobenzoic acid (CAS 96797-15-8) is a chemical compound with molecular formula C11H12ClNO2 and molecular weight 225.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-pyrrolidin-1-ylbenzoic acid
Also Known As: 3-chloro-4-pyrrolidinobenzoic acid, 3-chloro-4-pyrrolidin-1-ylbenzoic acid, 3-Chloro-4-(pyrrolidin-1-yl)benzoic acid, 3-Chloro-4-pyrrolidinobenzoicAcid, CHEMBRDG-BB6606817
| Molecular Formula | C11H12ClNO2 |
|---|---|
| Molecular Weight | 225.06 g/mol |
| LogP | 2.6384 |
| Topological Polar Surface Area | 40.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.05565 |
| Heavy Atoms | 15 |
| Complexity | 386.17435 |
Chemical Identifiers
| CAS Number | 96797-15-8 |
|---|---|
| SMILES | C1CCN(C1)C2=C(C=C(C=C2)C(=O)O)Cl |
Product Overview
3-Chloro-4-pyrrolidinobenzoic acid (CAS 96797-15-8), with molecular formula C11H12ClNO2 and molecular weight 225.06 g/mol. IUPAC: 3-chloro-4-pyrrolidin-1-ylbenzoic acid.
Chemical Property Profile of 3-Chloro-4-pyrrolidinobenzoic acid
Property Insights of 3-Chloro-4-pyrrolidinobenzoic acid
The XLogP value of 2.6384 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-4-pyrrolidinobenzoic acid. With a topological polar surface area (TPSA) of 40.54 Ų, 3-Chloro-4-pyrrolidinobenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4-pyrrolidinobenzoic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Chloro-4-pyrrolidinobenzoic acid?
The CAS number of 3-Chloro-4-pyrrolidinobenzoic acid is 96797-15-8.
What is the molecular formula of 3-Chloro-4-pyrrolidinobenzoic acid?
The molecular formula of 3-Chloro-4-pyrrolidinobenzoic acid is C11H12ClNO2.
What is the molecular weight of 3-Chloro-4-pyrrolidinobenzoic acid?
The molecular weight of 3-Chloro-4-pyrrolidinobenzoic acid is 225.06 g/mol.
Where can I buy 3-Chloro-4-pyrrolidinobenzoic acid?
You can request a quote for 3-Chloro-4-pyrrolidinobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-4-pyrrolidinobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-pyrrolidinobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.