5-Chloro-3-pyrrol-1-yl-benzofuran-2-carboxylic acid methyl ester
TL;DR: 5-Chloro-3-pyrrol-1-yl-benzofuran-2-carboxylic acid methyl ester (CAS 487022-21-9) is a chemical compound with molecular formula C14H10ClNO3 and molecular weight 275.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-chloro-3-pyrrol-1-yl-1-benzofuran-2-carboxylate
Also Known As: BAS 07119715, methyl 5-chloro-3-pyrrolylbenzo[d]furan-2-carboxylate, 5-Chloro-3-pyrrol-1-yl-benzofuran-2-carboxylic acid methyl ester, methyl 5-chloro-3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylate, A2902/0122247
| Molecular Formula | C14H10ClNO3 |
|---|---|
| Molecular Weight | 275.03 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 44.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.0349 |
| Heavy Atoms | 19 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 487022-21-9 |
|---|---|
| SMILES | COC(=O)C1=C(C2=C(O1)C=CC(=C2)Cl)N3C=CC=C3 |
| InChIKey | UOCOYYDXZHMCSZ-UHFFFAOYSA-N |
Product Overview
5-Chloro-3-pyrrol-1-yl-benzofuran-2-carboxylic acid methyl ester (CAS 487022-21-9), with molecular formula C14H10ClNO3 and molecular weight 275.03 g/mol. IUPAC: methyl 5-chloro-3-pyrrol-1-yl-1-benzofuran-2-carboxylate.
Chemical Property Profile of 5-Chloro-3-pyrrol-1-yl-benzofuran-2-carboxylic acid methyl ester
Property Insights of 5-Chloro-3-pyrrol-1-yl-benzofuran-2-carboxylic acid methyl ester
The XLogP value of 3.5 indicates that 5-Chloro-3-pyrrol-1-yl-benzofuran-2-carboxylic acid methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.4 Ų, 5-Chloro-3-pyrrol-1-yl-benzofuran-2-carboxylic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-3-pyrrol-1-yl-benzofuran-2-carboxylic acid methyl ester has 0 hydrogen bond donor(s) and 3 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-pyrrol-1-yl-benzofuran-2-carboxylic acid methyl ester?
The CAS number of 5-Chloro-3-pyrrol-1-yl-benzofuran-2-carboxylic acid methyl ester is 487022-21-9.
What is the molecular formula of 5-Chloro-3-pyrrol-1-yl-benzofuran-2-carboxylic acid methyl ester?
The molecular formula of 5-Chloro-3-pyrrol-1-yl-benzofuran-2-carboxylic acid methyl ester is C14H10ClNO3.
What is the molecular weight of 5-Chloro-3-pyrrol-1-yl-benzofuran-2-carboxylic acid methyl ester?
The molecular weight of 5-Chloro-3-pyrrol-1-yl-benzofuran-2-carboxylic acid methyl ester is 275.03 g/mol.
Where can I buy 5-Chloro-3-pyrrol-1-yl-benzofuran-2-carboxylic acid methyl ester?
You can request a quote for 5-Chloro-3-pyrrol-1-yl-benzofuran-2-carboxylic 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 5-Chloro-3-pyrrol-1-yl-benzofuran-2-carboxylic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-3-pyrrol-1-yl-benzofuran-2-carboxylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.