3-Bromo-4-ethoxy-5-methoxybenzoic acid
TL;DR: 3-Bromo-4-ethoxy-5-methoxybenzoic acid (CAS 942474-57-9) is a chemical compound with molecular formula C10H11BrO4 and molecular weight 273.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-4-ethoxy-5-methoxybenzoic acid
Also Known As: 3-bromo-4-ethoxy-5-methoxybenzoic acid, 3-bromo-4-ethoxy-5-methoxy-benzoic Acid, 3-bromo-4-ethoxy-5-methoxybenzoicacid, 1-[2-chloro-5-methyl-4-(methylsulfonyl)phenyl]-piperidine-4-carboxamide, 992-173-2
| Molecular Formula | C10H11BrO4 |
|---|---|
| Molecular Weight | 273.98 g/mol |
| LogP | 2.5546 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.98407 |
| Heavy Atoms | 15 |
| Complexity | 375.9303 |
Chemical Identifiers
| CAS Number | 942474-57-9 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1Br)C(=O)O)OC |
Product Overview
3-Bromo-4-ethoxy-5-methoxybenzoic acid (CAS 942474-57-9), with molecular formula C10H11BrO4 and molecular weight 273.98 g/mol. IUPAC: 3-bromo-4-ethoxy-5-methoxybenzoic acid.
Chemical Property Profile of 3-Bromo-4-ethoxy-5-methoxybenzoic acid
Property Insights of 3-Bromo-4-ethoxy-5-methoxybenzoic acid
The XLogP value of 2.5546 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-4-ethoxy-5-methoxybenzoic acid. With a topological polar surface area (TPSA) of 55.76 Ų, 3-Bromo-4-ethoxy-5-methoxybenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-4-ethoxy-5-methoxybenzoic 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 3-Bromo-4-ethoxy-5-methoxybenzoic acid?
The CAS number of 3-Bromo-4-ethoxy-5-methoxybenzoic acid is 942474-57-9.
What is the molecular formula of 3-Bromo-4-ethoxy-5-methoxybenzoic acid?
The molecular formula of 3-Bromo-4-ethoxy-5-methoxybenzoic acid is C10H11BrO4.
What is the molecular weight of 3-Bromo-4-ethoxy-5-methoxybenzoic acid?
The molecular weight of 3-Bromo-4-ethoxy-5-methoxybenzoic acid is 273.98 g/mol.
Where can I buy 3-Bromo-4-ethoxy-5-methoxybenzoic acid?
You can request a quote for 3-Bromo-4-ethoxy-5-methoxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-4-ethoxy-5-methoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-4-ethoxy-5-methoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.