5-chloro-3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylic acid
TL;DR: 5-chloro-3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylic acid (CAS 499211-98-2) is a chemical compound with molecular formula C13H8ClNO3 and molecular weight 261.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-3-pyrrol-1-yl-1-benzofuran-2-carboxylic acid
Also Known As: 5-chloro-3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylic acid, 5-chloro-3-pyrrol-1-yl-1-benzofuran-2-carboxylic acid, 5-Chloro-3-(1H-pyrrol-1-yl)benzofuran-2-carboxylic acid, 5-chloro-3-pyrrolylbenzo[b]furan-2-carboxylic acid, A3556/0150790
| Molecular Formula | C13H8ClNO3 |
|---|---|
| Molecular Weight | 261.02 g/mol |
| LogP | 3.5751 |
| Topological Polar Surface Area | 55.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.01926 |
| Heavy Atoms | 18 |
| Complexity | 728.1171 |
Chemical Identifiers
| CAS Number | 499211-98-2 |
|---|---|
| SMILES | C1=CN(C=C1)C2=C(OC3=C2C=C(C=C3)Cl)C(=O)O |
Product Overview
5-chloro-3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylic acid (CAS 499211-98-2), with molecular formula C13H8ClNO3 and molecular weight 261.02 g/mol. IUPAC: 5-chloro-3-pyrrol-1-yl-1-benzofuran-2-carboxylic acid.
Chemical Property Profile of 5-chloro-3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylic acid
Property Insights of 5-chloro-3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylic acid
The XLogP value of 3.5751 indicates that 5-chloro-3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.37 Ų, 5-chloro-3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-chloro-3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylic 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 5-chloro-3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylic acid?
The CAS number of 5-chloro-3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylic acid is 499211-98-2.
What is the molecular formula of 5-chloro-3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylic acid?
The molecular formula of 5-chloro-3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylic acid is C13H8ClNO3.
What is the molecular weight of 5-chloro-3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylic acid?
The molecular weight of 5-chloro-3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylic acid is 261.02 g/mol.
Where can I buy 5-chloro-3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylic acid?
You can request a quote for 5-chloro-3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-chloro-3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.