4-Butoxy-3-chloro-5-methoxybenzoic acid
TL;DR: 4-Butoxy-3-chloro-5-methoxybenzoic acid (CAS 955-36-2) is a chemical compound with molecular formula C12H15ClO4 and molecular weight 258.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butoxy-3-chloro-5-methoxybenzoic acid
Also Known As: 4-butoxy-3-chloro-5-methoxybenzoic acid, 4-(Trifluoromethyl)benzylamine, 4-butoxy-3-chloro-5-methoxy-benzoic acid, 4-BUTOXY-3-CHLORO-5-METHOXYBENZOICACID, 5-Chlor-4-butyloxy-3-methoxy-benzoesaeure
| Molecular Formula | C12H15ClO4 |
|---|---|
| Molecular Weight | 258.07 g/mol |
| LogP | 3.2257 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 258.0659 |
| Heavy Atoms | 17 |
| Complexity | 403.73724 |
Chemical Identifiers
| CAS Number | 955-36-2 |
|---|---|
| SMILES | CCCCOC1=C(C=C(C=C1Cl)C(=O)O)OC |
Product Overview
4-Butoxy-3-chloro-5-methoxybenzoic acid (CAS 955-36-2), with molecular formula C12H15ClO4 and molecular weight 258.07 g/mol. IUPAC: 4-butoxy-3-chloro-5-methoxybenzoic acid.
Chemical Property Profile of 4-Butoxy-3-chloro-5-methoxybenzoic acid
Property Insights of 4-Butoxy-3-chloro-5-methoxybenzoic acid
The XLogP value of 3.2257 indicates that 4-Butoxy-3-chloro-5-methoxybenzoic 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-methoxybenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Butoxy-3-chloro-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 4-Butoxy-3-chloro-5-methoxybenzoic acid?
The CAS number of 4-Butoxy-3-chloro-5-methoxybenzoic acid is 955-36-2.
What is the molecular formula of 4-Butoxy-3-chloro-5-methoxybenzoic acid?
The molecular formula of 4-Butoxy-3-chloro-5-methoxybenzoic acid is C12H15ClO4.
What is the molecular weight of 4-Butoxy-3-chloro-5-methoxybenzoic acid?
The molecular weight of 4-Butoxy-3-chloro-5-methoxybenzoic acid is 258.07 g/mol.
Where can I buy 4-Butoxy-3-chloro-5-methoxybenzoic acid?
You can request a quote for 4-Butoxy-3-chloro-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 4-Butoxy-3-chloro-5-methoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Butoxy-3-chloro-5-methoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.