3-bromo-5-ethoxy-4-(3-methylbutoxy)benzoic Acid
TL;DR: 3-bromo-5-ethoxy-4-(3-methylbutoxy)benzoic Acid (CAS 731827-15-9) is a chemical compound with molecular formula C14H19BrO4 and molecular weight 330.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-5-ethoxy-4-(3-methylbutoxy)benzoic acid
Also Known As: 3-bromo-5-ethoxy-4-(3-methylbutoxy)benzoic Acid, 3-bromo-5-ethoxy-4-(3-methylbutoxy)benzoicAcid
| Molecular Formula | C14H19BrO4 |
|---|---|
| Molecular Weight | 330.05 g/mol |
| LogP | 3.9709 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 330.04666 |
| Heavy Atoms | 19 |
| Complexity | 443.31726 |
Chemical Identifiers
| CAS Number | 731827-15-9 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C(=O)O)Br)OCCC(C)C |
Product Overview
3-bromo-5-ethoxy-4-(3-methylbutoxy)benzoic Acid (CAS 731827-15-9), with molecular formula C14H19BrO4 and molecular weight 330.05 g/mol. IUPAC: 3-bromo-5-ethoxy-4-(3-methylbutoxy)benzoic acid.
Chemical Property Profile of 3-bromo-5-ethoxy-4-(3-methylbutoxy)benzoic Acid
Property Insights of 3-bromo-5-ethoxy-4-(3-methylbutoxy)benzoic Acid
The XLogP value of 3.9709 indicates that 3-bromo-5-ethoxy-4-(3-methylbutoxy)benzoic 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-(3-methylbutoxy)benzoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-bromo-5-ethoxy-4-(3-methylbutoxy)benzoic 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-(3-methylbutoxy)benzoic Acid?
The CAS number of 3-bromo-5-ethoxy-4-(3-methylbutoxy)benzoic Acid is 731827-15-9.
What is the molecular formula of 3-bromo-5-ethoxy-4-(3-methylbutoxy)benzoic Acid?
The molecular formula of 3-bromo-5-ethoxy-4-(3-methylbutoxy)benzoic Acid is C14H19BrO4.
What is the molecular weight of 3-bromo-5-ethoxy-4-(3-methylbutoxy)benzoic Acid?
The molecular weight of 3-bromo-5-ethoxy-4-(3-methylbutoxy)benzoic Acid is 330.05 g/mol.
Where can I buy 3-bromo-5-ethoxy-4-(3-methylbutoxy)benzoic Acid?
You can request a quote for 3-bromo-5-ethoxy-4-(3-methylbutoxy)benzoic 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-(3-methylbutoxy)benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-5-ethoxy-4-(3-methylbutoxy)benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.