4-chloro-3-(1H-pyrrol-1-yl)benzoic acid
TL;DR: 4-chloro-3-(1H-pyrrol-1-yl)benzoic acid (CAS 107946-72-5) is a chemical compound with molecular formula C11H8ClNO2 and molecular weight 221.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-pyrrol-1-ylbenzoic acid
Also Known As: 4-chloro-3-(1H-pyrrol-1-yl)benzoic acid, 4-chloro-3-pyrrol-1-ylbenzoic acid, BB_SC-7362, 4-chloro-3-pyrrol-1-yl-benzoic Acid, 4-chloro-3-(1H-pyrrol-1-yl)benzoicacid
| Molecular Formula | C11H8ClNO2 |
|---|---|
| Molecular Weight | 221.02 g/mol |
| LogP | 2.8289 |
| Topological Polar Surface Area | 42.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.02435 |
| Heavy Atoms | 15 |
| Complexity | 491.29395 |
Chemical Identifiers
| CAS Number | 107946-72-5 |
|---|---|
| SMILES | C1=CN(C=C1)C2=C(C=CC(=C2)C(=O)O)Cl |
Product Overview
4-chloro-3-(1H-pyrrol-1-yl)benzoic acid (CAS 107946-72-5), with molecular formula C11H8ClNO2 and molecular weight 221.02 g/mol. IUPAC: 4-chloro-3-pyrrol-1-ylbenzoic acid.
Chemical Property Profile of 4-chloro-3-(1H-pyrrol-1-yl)benzoic acid
Property Insights of 4-chloro-3-(1H-pyrrol-1-yl)benzoic acid
The XLogP value of 2.8289 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-3-(1H-pyrrol-1-yl)benzoic acid. With a topological polar surface area (TPSA) of 42.23 Ų, 4-chloro-3-(1H-pyrrol-1-yl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-3-(1H-pyrrol-1-yl)benzoic acid has 1 hydrogen bond donor(s) and 1 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 4-chloro-3-(1H-pyrrol-1-yl)benzoic acid?
The CAS number of 4-chloro-3-(1H-pyrrol-1-yl)benzoic acid is 107946-72-5.
What is the molecular formula of 4-chloro-3-(1H-pyrrol-1-yl)benzoic acid?
The molecular formula of 4-chloro-3-(1H-pyrrol-1-yl)benzoic acid is C11H8ClNO2.
What is the molecular weight of 4-chloro-3-(1H-pyrrol-1-yl)benzoic acid?
The molecular weight of 4-chloro-3-(1H-pyrrol-1-yl)benzoic acid is 221.02 g/mol.
Where can I buy 4-chloro-3-(1H-pyrrol-1-yl)benzoic acid?
You can request a quote for 4-chloro-3-(1H-pyrrol-1-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-3-(1H-pyrrol-1-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-3-(1H-pyrrol-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.