2-Chloro-4-(1-pyrrolyl)benzoic acid methyl ester
TL;DR: 2-Chloro-4-(1-pyrrolyl)benzoic acid methyl ester (CAS 232275-66-0) is a chemical compound with molecular formula C12H10ClNO2 and molecular weight 235.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-chloro-4-pyrrol-1-ylbenzoate
Also Known As: methyl 2-chloro-4-pyrrol-1-ylbenzoate, Methyl 2-chloro-4-pyrrol-1-yl-benzoate, 2-chloro-4-(1-pyrrolyl)benzoic acid methyl ester, methyl 2-chloro-4-(1H-pyrrol-1-yl)benzoate
| Molecular Formula | C12H10ClNO2 |
|---|---|
| Molecular Weight | 235.04 g/mol |
| LogP | 2.9173 |
| Topological Polar Surface Area | 31.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.04001 |
| Heavy Atoms | 16 |
| Complexity | 505.74225 |
Chemical Identifiers
| CAS Number | 232275-66-0 |
|---|---|
| SMILES | COC(=O)C1=C(C=C(C=C1)N2C=CC=C2)Cl |
Product Overview
2-Chloro-4-(1-pyrrolyl)benzoic acid methyl ester (CAS 232275-66-0), with molecular formula C12H10ClNO2 and molecular weight 235.04 g/mol. IUPAC: methyl 2-chloro-4-pyrrol-1-ylbenzoate.
Chemical Property Profile of 2-Chloro-4-(1-pyrrolyl)benzoic acid methyl ester
Property Insights of 2-Chloro-4-(1-pyrrolyl)benzoic acid methyl ester
The XLogP value of 2.9173 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-4-(1-pyrrolyl)benzoic acid methyl ester. With a topological polar surface area (TPSA) of 31.23 Ų, 2-Chloro-4-(1-pyrrolyl)benzoic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-4-(1-pyrrolyl)benzoic acid methyl ester has 0 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 2-Chloro-4-(1-pyrrolyl)benzoic acid methyl ester?
The CAS number of 2-Chloro-4-(1-pyrrolyl)benzoic acid methyl ester is 232275-66-0.
What is the molecular formula of 2-Chloro-4-(1-pyrrolyl)benzoic acid methyl ester?
The molecular formula of 2-Chloro-4-(1-pyrrolyl)benzoic acid methyl ester is C12H10ClNO2.
What is the molecular weight of 2-Chloro-4-(1-pyrrolyl)benzoic acid methyl ester?
The molecular weight of 2-Chloro-4-(1-pyrrolyl)benzoic acid methyl ester is 235.04 g/mol.
Where can I buy 2-Chloro-4-(1-pyrrolyl)benzoic acid methyl ester?
You can request a quote for 2-Chloro-4-(1-pyrrolyl)benzoic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-4-(1-pyrrolyl)benzoic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4-(1-pyrrolyl)benzoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.