p-Methoxybenzoic acid butylester
TL;DR: p-Methoxybenzoic acid butylester (CAS 6946-35-6) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-methoxybenzoate
Also Known As: Butyl 4-methoxybenzoate, n-Butyl anisate, butyl p-anisate, Benzoic acid, 4-methoxy-, butyl ester, butyl4-methoxybenzoate
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 6946-35-6 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)OC |
| InChIKey | DXKMHDQQRQRYCI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Methoxybenzoic acid butylester (CAS 6946-35-6), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: butyl 4-methoxybenzoate.
Chemical Property Profile of p-Methoxybenzoic acid butylester
Property Insights of p-Methoxybenzoic acid butylester
The XLogP value of 3.9 indicates that p-Methoxybenzoic acid butylester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, p-Methoxybenzoic acid butylester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Methoxybenzoic acid butylester has 0 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 p-Methoxybenzoic acid butylester?
The CAS number of p-Methoxybenzoic acid butylester is 6946-35-6.
What is the molecular formula of p-Methoxybenzoic acid butylester?
The molecular formula of p-Methoxybenzoic acid butylester is C12H16O3.
What is the molecular weight of p-Methoxybenzoic acid butylester?
The molecular weight of p-Methoxybenzoic acid butylester is 208.11 g/mol.
Where can I buy p-Methoxybenzoic acid butylester?
You can request a quote for p-Methoxybenzoic acid butylester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Methoxybenzoic acid butylester?
Yes, KEHONG BIO provides custom synthesis services for p-Methoxybenzoic acid butylester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.