1-(2-Carboxy-3-chlorophenyl)pyrrole
TL;DR: 1-(2-Carboxy-3-chlorophenyl)pyrrole (CAS 6333-79-5) 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.
2-chloro-6-pyrrol-1-ylbenzoic acid
Also Known As: 1-(2-Carboxy-3-chlorophenyl)pyrrole, 2-chloro-6-(1h-pyrrol-1-yl)benzoic acid, 2-chloro-6-pyrrol-1-ylbenzoic acid, T 9078, T-9078
| Molecular Formula | C11H8ClNO2 |
|---|---|
| Molecular Weight | 221.02 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 42.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.02435 |
| Heavy Atoms | 15 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 6333-79-5 |
|---|---|
| SMILES | C1=CN(C=C1)C2=C(C(=CC=C2)Cl)C(=O)O |
| InChIKey | OVVCTOSIMDWXLP-UHFFFAOYSA-N |
Product Overview
1-(2-Carboxy-3-chlorophenyl)pyrrole (CAS 6333-79-5), with molecular formula C11H8ClNO2 and molecular weight 221.02 g/mol. IUPAC: 2-chloro-6-pyrrol-1-ylbenzoic acid.
Chemical Property Profile of 1-(2-Carboxy-3-chlorophenyl)pyrrole
Property Insights of 1-(2-Carboxy-3-chlorophenyl)pyrrole
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Carboxy-3-chlorophenyl)pyrrole. With a topological polar surface area (TPSA) of 42.2 Ų, 1-(2-Carboxy-3-chlorophenyl)pyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Carboxy-3-chlorophenyl)pyrrole 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 1-(2-Carboxy-3-chlorophenyl)pyrrole?
The CAS number of 1-(2-Carboxy-3-chlorophenyl)pyrrole is 6333-79-5.
What is the molecular formula of 1-(2-Carboxy-3-chlorophenyl)pyrrole?
The molecular formula of 1-(2-Carboxy-3-chlorophenyl)pyrrole is C11H8ClNO2.
What is the molecular weight of 1-(2-Carboxy-3-chlorophenyl)pyrrole?
The molecular weight of 1-(2-Carboxy-3-chlorophenyl)pyrrole is 221.02 g/mol.
Where can I buy 1-(2-Carboxy-3-chlorophenyl)pyrrole?
You can request a quote for 1-(2-Carboxy-3-chlorophenyl)pyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Carboxy-3-chlorophenyl)pyrrole?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Carboxy-3-chlorophenyl)pyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.