5-Bromo-2-ethoxybenzeneacetic acid
TL;DR: 5-Bromo-2-ethoxybenzeneacetic acid (CAS 7017-49-4) is a chemical compound with molecular formula C10H11BrO3 and molecular weight 257.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-bromo-2-ethoxyphenyl)acetic acid
Also Known As: 2-(5-bromo-2-ethoxyphenyl)acetic acid, (5-bromo-2-ethoxyphenyl)acetic acid, 5-Bromo-2-ethoxybenzeneacetic acid, 2-(5-bromo-2-ethoxyphenyl)aceticacid, (5-Bromo-2-ethoxy-phenyl)-acetic acid
| Molecular Formula | C10H11BrO3 |
|---|---|
| Molecular Weight | 257.99 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.98917 |
| Heavy Atoms | 14 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 7017-49-4 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)Br)CC(=O)O |
| InChIKey | JMISCCIZDRPSNS-UHFFFAOYSA-N |
Product Overview
5-Bromo-2-ethoxybenzeneacetic acid (CAS 7017-49-4), with molecular formula C10H11BrO3 and molecular weight 257.99 g/mol. IUPAC: 2-(5-bromo-2-ethoxyphenyl)acetic acid.
Chemical Property Profile of 5-Bromo-2-ethoxybenzeneacetic acid
Property Insights of 5-Bromo-2-ethoxybenzeneacetic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-2-ethoxybenzeneacetic acid. With a topological polar surface area (TPSA) of 46.5 Ų, 5-Bromo-2-ethoxybenzeneacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-2-ethoxybenzeneacetic acid 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-Bromo-2-ethoxybenzeneacetic acid?
The CAS number of 5-Bromo-2-ethoxybenzeneacetic acid is 7017-49-4.
What is the molecular formula of 5-Bromo-2-ethoxybenzeneacetic acid?
The molecular formula of 5-Bromo-2-ethoxybenzeneacetic acid is C10H11BrO3.
What is the molecular weight of 5-Bromo-2-ethoxybenzeneacetic acid?
The molecular weight of 5-Bromo-2-ethoxybenzeneacetic acid is 257.99 g/mol.
Where can I buy 5-Bromo-2-ethoxybenzeneacetic acid?
You can request a quote for 5-Bromo-2-ethoxybenzeneacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-2-ethoxybenzeneacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-2-ethoxybenzeneacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.