4-Butoxy-3-chloro-5-ethoxybenzoic acid
TL;DR: 4-Butoxy-3-chloro-5-ethoxybenzoic acid (CAS 749920-46-5) is a chemical compound with molecular formula C13H17ClO4 and molecular weight 272.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butoxy-3-chloro-5-ethoxybenzoic acid
Also Known As: 4-butoxy-3-chloro-5-ethoxybenzoic acid, 4-butoxy-3-chloro-5-ethoxybenzoicacid, 4-butoxy-3-chloro-5-ethoxy-benzoic Acid, 999-707-3, RefChem:520598
| Molecular Formula | C13H17ClO4 |
|---|---|
| Molecular Weight | 272.08 g/mol |
| LogP | 3.6158 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 272.08154 |
| Heavy Atoms | 18 |
| Complexity | 417.69742 |
Chemical Identifiers
| CAS Number | 749920-46-5 |
|---|---|
| SMILES | CCCCOC1=C(C=C(C=C1Cl)C(=O)O)OCC |
Product Overview
4-Butoxy-3-chloro-5-ethoxybenzoic acid (CAS 749920-46-5), with molecular formula C13H17ClO4 and molecular weight 272.08 g/mol. IUPAC: 4-butoxy-3-chloro-5-ethoxybenzoic acid.
Chemical Property Profile of 4-Butoxy-3-chloro-5-ethoxybenzoic acid
Property Insights of 4-Butoxy-3-chloro-5-ethoxybenzoic acid
The XLogP value of 3.6158 indicates that 4-Butoxy-3-chloro-5-ethoxybenzoic 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, 4-Butoxy-3-chloro-5-ethoxybenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Butoxy-3-chloro-5-ethoxybenzoic 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 4-Butoxy-3-chloro-5-ethoxybenzoic acid?
The CAS number of 4-Butoxy-3-chloro-5-ethoxybenzoic acid is 749920-46-5.
What is the molecular formula of 4-Butoxy-3-chloro-5-ethoxybenzoic acid?
The molecular formula of 4-Butoxy-3-chloro-5-ethoxybenzoic acid is C13H17ClO4.
What is the molecular weight of 4-Butoxy-3-chloro-5-ethoxybenzoic acid?
The molecular weight of 4-Butoxy-3-chloro-5-ethoxybenzoic acid is 272.08 g/mol.
Where can I buy 4-Butoxy-3-chloro-5-ethoxybenzoic acid?
You can request a quote for 4-Butoxy-3-chloro-5-ethoxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Butoxy-3-chloro-5-ethoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Butoxy-3-chloro-5-ethoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.