5-Bromo-3-pyrrol-1-yl-benzofuran-2-carboxylic acid methyl ester
TL;DR: 5-Bromo-3-pyrrol-1-yl-benzofuran-2-carboxylic acid methyl ester (CAS 364620-36-0) is a chemical compound with molecular formula C14H10BrNO3 and molecular weight 318.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-bromo-3-pyrrol-1-yl-1-benzofuran-2-carboxylate
Also Known As: BAS 03276943, 5-Bromo-3-pyrrol-1-yl-benzofuran-2-carboxylic acid methyl ester, methyl 5-bromo-3-(1H-pyrrol-1-yl)benzofuran-2-carboxylate, methyl 5-bromo-3-pyrrol-1-yl-1-benzofuran-2-carboxylate, methyl 5-bromo-3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylate
| Molecular Formula | C14H10BrNO3 |
|---|---|
| Molecular Weight | 318.98 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 44.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.9844 |
| Heavy Atoms | 19 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 364620-36-0 |
|---|---|
| SMILES | COC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)N3C=CC=C3 |
| InChIKey | NFGRNADOIZUJGR-UHFFFAOYSA-N |
Product Overview
5-Bromo-3-pyrrol-1-yl-benzofuran-2-carboxylic acid methyl ester (CAS 364620-36-0), with molecular formula C14H10BrNO3 and molecular weight 318.98 g/mol. IUPAC: methyl 5-bromo-3-pyrrol-1-yl-1-benzofuran-2-carboxylate.
Chemical Property Profile of 5-Bromo-3-pyrrol-1-yl-benzofuran-2-carboxylic acid methyl ester
Property Insights of 5-Bromo-3-pyrrol-1-yl-benzofuran-2-carboxylic acid methyl ester
The XLogP value of 3.6 indicates that 5-Bromo-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-Bromo-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-Bromo-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-Bromo-3-pyrrol-1-yl-benzofuran-2-carboxylic acid methyl ester?
The CAS number of 5-Bromo-3-pyrrol-1-yl-benzofuran-2-carboxylic acid methyl ester is 364620-36-0.
What is the molecular formula of 5-Bromo-3-pyrrol-1-yl-benzofuran-2-carboxylic acid methyl ester?
The molecular formula of 5-Bromo-3-pyrrol-1-yl-benzofuran-2-carboxylic acid methyl ester is C14H10BrNO3.
What is the molecular weight of 5-Bromo-3-pyrrol-1-yl-benzofuran-2-carboxylic acid methyl ester?
The molecular weight of 5-Bromo-3-pyrrol-1-yl-benzofuran-2-carboxylic acid methyl ester is 318.98 g/mol.
Where can I buy 5-Bromo-3-pyrrol-1-yl-benzofuran-2-carboxylic acid methyl ester?
You can request a quote for 5-Bromo-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-Bromo-3-pyrrol-1-yl-benzofuran-2-carboxylic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-3-pyrrol-1-yl-benzofuran-2-carboxylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.