5-Benzofuranacetic acid, 2,3-dihydro-3-(4-bromophenyl)-2-oxo-
TL;DR: 5-Benzofuranacetic acid, 2,3-dihydro-3-(4-bromophenyl)-2-oxo- (CAS 77143-69-2) is a chemical compound with molecular formula C16H11BrO4 and molecular weight 345.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-bromophenyl)-2-oxo-3H-1-benzofuran-5-yl]acetic acid
Also Known As: 2,3-Dihydro-3-(4-bromophenyl)-2-oxo-5-benzofuranacetic acid, 5-Benzofuranacetic acid, 2,3-dihydro-3-(4-bromophenyl)-2-oxo-, 2-[3-(4-bromophenyl)-2-oxo-3H-1-benzofuran-5-yl]acetic acid, [3-(4-Bromophenyl)-2-oxo-2,3-dihydro-1-benzofuran-5-yl]acetic acid, BRN 4513712
| Molecular Formula | C16H11BrO4 |
|---|---|
| Molecular Weight | 345.98 g/mol |
| LogP | 3.1271 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.98407 |
| Heavy Atoms | 21 |
| Complexity | 721.5569 |
Chemical Identifiers
| CAS Number | 77143-69-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C2C3=C(C=CC(=C3)CC(=O)O)OC2=O)Br |
Product Overview
5-Benzofuranacetic acid, 2,3-dihydro-3-(4-bromophenyl)-2-oxo- (CAS 77143-69-2), with molecular formula C16H11BrO4 and molecular weight 345.98 g/mol. IUPAC: 2-[3-(4-bromophenyl)-2-oxo-3H-1-benzofuran-5-yl]acetic acid.
Chemical Property Profile of 5-Benzofuranacetic acid, 2,3-dihydro-3-(4-bromophenyl)-2-oxo-
Property Insights of 5-Benzofuranacetic acid, 2,3-dihydro-3-(4-bromophenyl)-2-oxo-
The XLogP value of 3.1271 indicates that 5-Benzofuranacetic acid, 2,3-dihydro-3-(4-bromophenyl)-2-oxo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Benzofuranacetic acid, 2,3-dihydro-3-(4-bromophenyl)-2-oxo-. Following Lipinski's Rule of Five, 5-Benzofuranacetic acid, 2,3-dihydro-3-(4-bromophenyl)-2-oxo- has 1 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-Benzofuranacetic acid, 2,3-dihydro-3-(4-bromophenyl)-2-oxo-?
The CAS number of 5-Benzofuranacetic acid, 2,3-dihydro-3-(4-bromophenyl)-2-oxo- is 77143-69-2.
What is the molecular formula of 5-Benzofuranacetic acid, 2,3-dihydro-3-(4-bromophenyl)-2-oxo-?
The molecular formula of 5-Benzofuranacetic acid, 2,3-dihydro-3-(4-bromophenyl)-2-oxo- is C16H11BrO4.
What is the molecular weight of 5-Benzofuranacetic acid, 2,3-dihydro-3-(4-bromophenyl)-2-oxo-?
The molecular weight of 5-Benzofuranacetic acid, 2,3-dihydro-3-(4-bromophenyl)-2-oxo- is 345.98 g/mol.
Where can I buy 5-Benzofuranacetic acid, 2,3-dihydro-3-(4-bromophenyl)-2-oxo-?
You can request a quote for 5-Benzofuranacetic acid, 2,3-dihydro-3-(4-bromophenyl)-2-oxo- 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-?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzofuranacetic acid, 2,3-dihydro-3-(4-bromophenyl)-2-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.