5-Benzofuranacetic acid, 2,3-dihydro-3-(4-bromophenyl)-2-oxo-, methyl ester
TL;DR: 5-Benzofuranacetic acid, 2,3-dihydro-3-(4-bromophenyl)-2-oxo-, methyl ester (CAS 77143-63-6) is a chemical compound with molecular formula C17H13BrO4 and molecular weight 360.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-(4-bromophenyl)-2-oxo-3H-1-benzofuran-5-yl]acetate
Also Known As: 2,3-Dihydro-3-(4-bromophenyl)-2-oxo-5-benzofuranacetic acid methyl ester, 5-Benzofuranacetic acid, 2,3-dihydro-3-(4-bromophenyl)-2-oxo-, methyl ester, methyl 2-[3-(4-bromophenyl)-2-oxo-3H-1-benzofuran-5-yl]acetate, Methyl [3-(4-bromophenyl)-2-oxo-2,3-dihydro-1-benzofuran-5-yl]acetate, BRN 4519360
| Molecular Formula | C17H13BrO4 |
|---|---|
| Molecular Weight | 360.00 g/mol |
| LogP | 3.2155 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 359.99973 |
| Heavy Atoms | 22 |
| Complexity | 736.8242 |
Chemical Identifiers
| CAS Number | 77143-63-6 |
|---|---|
| SMILES | COC(=O)CC1=CC2=C(C=C1)OC(=O)C2C3=CC=C(C=C3)Br |
Product Overview
5-Benzofuranacetic acid, 2,3-dihydro-3-(4-bromophenyl)-2-oxo-, methyl ester (CAS 77143-63-6), with molecular formula C17H13BrO4 and molecular weight 360.00 g/mol. IUPAC: methyl 2-[3-(4-bromophenyl)-2-oxo-3H-1-benzofuran-5-yl]acetate.
Chemical Property Profile of 5-Benzofuranacetic acid, 2,3-dihydro-3-(4-bromophenyl)-2-oxo-, methyl ester
Property Insights of 5-Benzofuranacetic acid, 2,3-dihydro-3-(4-bromophenyl)-2-oxo-, methyl ester
The XLogP value of 3.2155 indicates that 5-Benzofuranacetic acid, 2,3-dihydro-3-(4-bromophenyl)-2-oxo-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 5-Benzofuranacetic acid, 2,3-dihydro-3-(4-bromophenyl)-2-oxo-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Benzofuranacetic acid, 2,3-dihydro-3-(4-bromophenyl)-2-oxo-, methyl ester has 0 hydrogen bond donor(s) and 4 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-Benzofuranacetic acid, 2,3-dihydro-3-(4-bromophenyl)-2-oxo-, methyl ester?
The CAS number of 5-Benzofuranacetic acid, 2,3-dihydro-3-(4-bromophenyl)-2-oxo-, methyl ester is 77143-63-6.
What is the molecular formula of 5-Benzofuranacetic acid, 2,3-dihydro-3-(4-bromophenyl)-2-oxo-, methyl ester?
The molecular formula of 5-Benzofuranacetic acid, 2,3-dihydro-3-(4-bromophenyl)-2-oxo-, methyl ester is C17H13BrO4.
What is the molecular weight of 5-Benzofuranacetic acid, 2,3-dihydro-3-(4-bromophenyl)-2-oxo-, methyl ester?
The molecular weight of 5-Benzofuranacetic acid, 2,3-dihydro-3-(4-bromophenyl)-2-oxo-, methyl ester is 360.00 g/mol.
Where can I buy 5-Benzofuranacetic acid, 2,3-dihydro-3-(4-bromophenyl)-2-oxo-, methyl ester?
You can request a quote for 5-Benzofuranacetic acid, 2,3-dihydro-3-(4-bromophenyl)-2-oxo-, 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-Benzofuranacetic acid, 2,3-dihydro-3-(4-bromophenyl)-2-oxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzofuranacetic acid, 2,3-dihydro-3-(4-bromophenyl)-2-oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.