![2-(2-Bromo-5-chloro-6-methylbenzo[b]furan-3-yl)acetic acid structure](/static/products/890/890005-44-4.png)
2-(2-Bromo-5-chloro-6-methylbenzo[b]furan-3-yl)acetic acid
TL;DR: 2-(2-Bromo-5-chloro-6-methylbenzo[b]furan-3-yl)acetic acid (CAS 890005-44-4) is a chemical compound with molecular formula C11H8BrClO3 and molecular weight 301.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-bromo-5-chloro-6-methyl-1-benzofuran-3-yl)acetic acid
Also Known As: BB 0264335, 2-(2-bromo-5-chloro-6-methylbenzo[b]furan-3-yl)acetic acid, 2-(2-bromo-5-chloro-6-methyl-1-benzofuran-3-yl)acetic acid, (2-bromo-5-chloro-6-methyl-1-benzofuran-3-yl)acetic acid, 2-(2-bromo-5-chloro-6-methyl-benzofuran-3-yl)acetic Acid
| Molecular Formula | C11H8BrClO3 |
|---|---|
| Molecular Weight | 301.93 g/mol |
| LogP | 3.78422 |
| Topological Polar Surface Area | 50.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.93454 |
| Heavy Atoms | 16 |
| Complexity | 574.10364 |
Chemical Identifiers
| CAS Number | 890005-44-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1Cl)C(=C(O2)Br)CC(=O)O |
Product Overview
2-(2-Bromo-5-chloro-6-methylbenzo[b]furan-3-yl)acetic acid (CAS 890005-44-4), with molecular formula C11H8BrClO3 and molecular weight 301.93 g/mol. IUPAC: 2-(2-bromo-5-chloro-6-methyl-1-benzofuran-3-yl)acetic acid.
Chemical Property Profile of 2-(2-Bromo-5-chloro-6-methylbenzo[b]furan-3-yl)acetic acid
Property Insights of 2-(2-Bromo-5-chloro-6-methylbenzo[b]furan-3-yl)acetic acid
The XLogP value of 3.78422 indicates that 2-(2-Bromo-5-chloro-6-methylbenzo[b]furan-3-yl)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.44 Ų, 2-(2-Bromo-5-chloro-6-methylbenzo[b]furan-3-yl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Bromo-5-chloro-6-methylbenzo[b]furan-3-yl)acetic acid has 1 hydrogen bond donor(s) and 2 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-(2-Bromo-5-chloro-6-methylbenzo[b]furan-3-yl)acetic acid?
The CAS number of 2-(2-Bromo-5-chloro-6-methylbenzo[b]furan-3-yl)acetic acid is 890005-44-4.
What is the molecular formula of 2-(2-Bromo-5-chloro-6-methylbenzo[b]furan-3-yl)acetic acid?
The molecular formula of 2-(2-Bromo-5-chloro-6-methylbenzo[b]furan-3-yl)acetic acid is C11H8BrClO3.
What is the molecular weight of 2-(2-Bromo-5-chloro-6-methylbenzo[b]furan-3-yl)acetic acid?
The molecular weight of 2-(2-Bromo-5-chloro-6-methylbenzo[b]furan-3-yl)acetic acid is 301.93 g/mol.
Where can I buy 2-(2-Bromo-5-chloro-6-methylbenzo[b]furan-3-yl)acetic acid?
You can request a quote for 2-(2-Bromo-5-chloro-6-methylbenzo[b]furan-3-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Bromo-5-chloro-6-methylbenzo[b]furan-3-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Bromo-5-chloro-6-methylbenzo[b]furan-3-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.