Methyl 5-bromo-1-benzofuran-2-carboxylate
TL;DR: Methyl 5-bromo-1-benzofuran-2-carboxylate (CAS 84102-69-2) is a chemical compound with molecular formula C10H7BrO3 and molecular weight 253.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-bromo-1-benzofuran-2-carboxylate
Also Known As: methyl 5-bromobenzofuran-2-carboxylate, Methyl 5-bromo-1-benzofuran-2-carboxylate, 5-Bromobenzofuran-2-carboxylic acid methyl ester, CANTHARIDICACID, 5-Bromo-benzofuran-2-carboxylic acid methyl ester
| Molecular Formula | C10H7BrO3 |
|---|---|
| Molecular Weight | 253.96 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.95786 |
| Heavy Atoms | 14 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 84102-69-2 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(O1)C=CC(=C2)Br |
| InChIKey | ZZDBMDNRQQDSKG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 5-bromo-1-benzofuran-2-carboxylate (CAS 84102-69-2), with molecular formula C10H7BrO3 and molecular weight 253.96 g/mol. IUPAC: methyl 5-bromo-1-benzofuran-2-carboxylate.
Chemical Property Profile of Methyl 5-bromo-1-benzofuran-2-carboxylate
Property Insights of Methyl 5-bromo-1-benzofuran-2-carboxylate
The XLogP value of 3.2 indicates that Methyl 5-bromo-1-benzofuran-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.4 Ų, Methyl 5-bromo-1-benzofuran-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-bromo-1-benzofuran-2-carboxylate 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 Methyl 5-bromo-1-benzofuran-2-carboxylate?
The CAS number of Methyl 5-bromo-1-benzofuran-2-carboxylate is 84102-69-2.
What is the molecular formula of Methyl 5-bromo-1-benzofuran-2-carboxylate?
The molecular formula of Methyl 5-bromo-1-benzofuran-2-carboxylate is C10H7BrO3.
What is the molecular weight of Methyl 5-bromo-1-benzofuran-2-carboxylate?
The molecular weight of Methyl 5-bromo-1-benzofuran-2-carboxylate is 253.96 g/mol.
Where can I buy Methyl 5-bromo-1-benzofuran-2-carboxylate?
You can request a quote for Methyl 5-bromo-1-benzofuran-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-bromo-1-benzofuran-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-bromo-1-benzofuran-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.