3-Bromo-5-ethoxy-4-propoxybenzoic acid
TL;DR: 3-Bromo-5-ethoxy-4-propoxybenzoic acid (CAS 723245-45-2) is a chemical compound with molecular formula C12H15BrO4 and molecular weight 302.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-5-ethoxy-4-propoxybenzoic acid
Also Known As: 3-bromo-5-ethoxy-4-propoxybenzoic acid, starbld0030365, 3-bromo-5-ethoxy-4-propoxy-benzoic acid, AH-487/42820072
| Molecular Formula | C12H15BrO4 |
|---|---|
| Molecular Weight | 302.02 g/mol |
| LogP | 3.3348 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 302.01538 |
| Heavy Atoms | 17 |
| Complexity | 403.73724 |
Chemical Identifiers
| CAS Number | 723245-45-2 |
|---|---|
| SMILES | CCCOC1=C(C=C(C=C1Br)C(=O)O)OCC |
Product Overview
3-Bromo-5-ethoxy-4-propoxybenzoic acid (CAS 723245-45-2), with molecular formula C12H15BrO4 and molecular weight 302.02 g/mol. IUPAC: 3-bromo-5-ethoxy-4-propoxybenzoic acid.
Chemical Property Profile of 3-Bromo-5-ethoxy-4-propoxybenzoic acid
Property Insights of 3-Bromo-5-ethoxy-4-propoxybenzoic acid
The XLogP value of 3.3348 indicates that 3-Bromo-5-ethoxy-4-propoxybenzoic 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-propoxybenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-5-ethoxy-4-propoxybenzoic 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-propoxybenzoic acid?
The CAS number of 3-Bromo-5-ethoxy-4-propoxybenzoic acid is 723245-45-2.
What is the molecular formula of 3-Bromo-5-ethoxy-4-propoxybenzoic acid?
The molecular formula of 3-Bromo-5-ethoxy-4-propoxybenzoic acid is C12H15BrO4.
What is the molecular weight of 3-Bromo-5-ethoxy-4-propoxybenzoic acid?
The molecular weight of 3-Bromo-5-ethoxy-4-propoxybenzoic acid is 302.02 g/mol.
Where can I buy 3-Bromo-5-ethoxy-4-propoxybenzoic acid?
You can request a quote for 3-Bromo-5-ethoxy-4-propoxybenzoic 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-propoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-5-ethoxy-4-propoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.