3-Bromo-5-ethoxy-4-isobutoxybenzoic acid
TL;DR: 3-Bromo-5-ethoxy-4-isobutoxybenzoic acid (CAS 838264-00-9) is a chemical compound with molecular formula C13H17BrO4 and molecular weight 316.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-5-ethoxy-4-(2-methylpropoxy)benzoic acid
Also Known As: 3-BROMO-5-ETHOXY-4-ISOBUTOXYBENZOIC ACID, 3-bromo-5-ethoxy-4-(2-methylpropoxy)benzoic acid, 3-bromo-5-ethoxy-4-isobutoxy-benzoic acid, Benzoic acid, 3-bromo-5-ethoxy-4-(2-methylpropoxy)-
| Molecular Formula | C13H17BrO4 |
|---|---|
| Molecular Weight | 316.03 g/mol |
| LogP | 3.5808 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 316.031 |
| Heavy Atoms | 18 |
| Complexity | 429.24457 |
Chemical Identifiers
| CAS Number | 838264-00-9 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C(=O)O)Br)OCC(C)C |
Product Overview
3-Bromo-5-ethoxy-4-isobutoxybenzoic acid (CAS 838264-00-9), with molecular formula C13H17BrO4 and molecular weight 316.03 g/mol. IUPAC: 3-bromo-5-ethoxy-4-(2-methylpropoxy)benzoic acid.
Chemical Property Profile of 3-Bromo-5-ethoxy-4-isobutoxybenzoic acid
Property Insights of 3-Bromo-5-ethoxy-4-isobutoxybenzoic acid
The XLogP value of 3.5808 indicates that 3-Bromo-5-ethoxy-4-isobutoxybenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.76 Ų, 3-Bromo-5-ethoxy-4-isobutoxybenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-5-ethoxy-4-isobutoxybenzoic 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-5-ethoxy-4-isobutoxybenzoic acid?
The CAS number of 3-Bromo-5-ethoxy-4-isobutoxybenzoic acid is 838264-00-9.
What is the molecular formula of 3-Bromo-5-ethoxy-4-isobutoxybenzoic acid?
The molecular formula of 3-Bromo-5-ethoxy-4-isobutoxybenzoic acid is C13H17BrO4.
What is the molecular weight of 3-Bromo-5-ethoxy-4-isobutoxybenzoic acid?
The molecular weight of 3-Bromo-5-ethoxy-4-isobutoxybenzoic acid is 316.03 g/mol.
Where can I buy 3-Bromo-5-ethoxy-4-isobutoxybenzoic acid?
You can request a quote for 3-Bromo-5-ethoxy-4-isobutoxybenzoic 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-5-ethoxy-4-isobutoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-5-ethoxy-4-isobutoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.