4-Methoxybenzoate
TL;DR: 4-Methoxybenzoate (CAS 16285-97-5) is a chemical compound with molecular formula C8H7O3- and molecular weight 151.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxybenzoate
Also Known As: 4-Methoxybenzoate, p-anisate, 4-Anisic acid, p-methoxybenzoate, p-Anisic acid
| Molecular Formula | C8H7O3- |
|---|---|
| Molecular Weight | 151.04 g/mol |
| LogP | 0.0587 |
| Topological Polar Surface Area | 49.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 151.03952 |
| Heavy Atoms | 11 |
| Complexity | 250.54462 |
Chemical Identifiers
| CAS Number | 16285-97-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)[O-] |
Product Overview
4-Methoxybenzoate (CAS 16285-97-5), with molecular formula C8H7O3- and molecular weight 151.04 g/mol. IUPAC: 4-methoxybenzoate.
Chemical Property Profile of 4-Methoxybenzoate
Property Insights of 4-Methoxybenzoate
The XLogP value of 0.0587 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxybenzoate. With a topological polar surface area (TPSA) of 49.36 Ų, 4-Methoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methoxybenzoate 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 4-Methoxybenzoate?
The CAS number of 4-Methoxybenzoate is 16285-97-5.
What is the molecular formula of 4-Methoxybenzoate?
The molecular formula of 4-Methoxybenzoate is C8H7O3-.
What is the molecular weight of 4-Methoxybenzoate?
The molecular weight of 4-Methoxybenzoate is 151.04 g/mol.
Where can I buy 4-Methoxybenzoate?
You can request a quote for 4-Methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.