2-Bromophenyl 3-methyl-1-benzofuran-2-carboxylate
TL;DR: 2-Bromophenyl 3-methyl-1-benzofuran-2-carboxylate (CAS 836664-96-1) is a chemical compound with molecular formula C16H11BrO3 and molecular weight 329.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-bromophenyl) 3-methyl-1-benzofuran-2-carboxylate
Also Known As: 2-bromophenyl 3-methyl-1-benzofuran-2-carboxylate, 2-bromophenyl 3-methylbenzo[d]furan-2-carboxylate, (2-bromophenyl) 3-methyl-1-benzofuran-2-carboxylate
| Molecular Formula | C16H11BrO3 |
|---|---|
| Molecular Weight | 329.99 g/mol |
| LogP | 4.72292 |
| Topological Polar Surface Area | 39.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 329.98917 |
| Heavy Atoms | 20 |
| Complexity | 789.27124 |
Chemical Identifiers
| CAS Number | 836664-96-1 |
|---|---|
| SMILES | CC1=C(OC2=CC=CC=C12)C(=O)OC3=CC=CC=C3Br |
Product Overview
2-Bromophenyl 3-methyl-1-benzofuran-2-carboxylate (CAS 836664-96-1), with molecular formula C16H11BrO3 and molecular weight 329.99 g/mol. IUPAC: (2-bromophenyl) 3-methyl-1-benzofuran-2-carboxylate.
Chemical Property Profile of 2-Bromophenyl 3-methyl-1-benzofuran-2-carboxylate
Property Insights of 2-Bromophenyl 3-methyl-1-benzofuran-2-carboxylate
The XLogP value of 4.72292 indicates that 2-Bromophenyl 3-methyl-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 39.44 Ų, 2-Bromophenyl 3-methyl-1-benzofuran-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromophenyl 3-methyl-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 2-Bromophenyl 3-methyl-1-benzofuran-2-carboxylate?
The CAS number of 2-Bromophenyl 3-methyl-1-benzofuran-2-carboxylate is 836664-96-1.
What is the molecular formula of 2-Bromophenyl 3-methyl-1-benzofuran-2-carboxylate?
The molecular formula of 2-Bromophenyl 3-methyl-1-benzofuran-2-carboxylate is C16H11BrO3.
What is the molecular weight of 2-Bromophenyl 3-methyl-1-benzofuran-2-carboxylate?
The molecular weight of 2-Bromophenyl 3-methyl-1-benzofuran-2-carboxylate is 329.99 g/mol.
Where can I buy 2-Bromophenyl 3-methyl-1-benzofuran-2-carboxylate?
You can request a quote for 2-Bromophenyl 3-methyl-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 2-Bromophenyl 3-methyl-1-benzofuran-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromophenyl 3-methyl-1-benzofuran-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.