3-(4-Methoxyphenyl)benzoate
TL;DR: 3-(4-Methoxyphenyl)benzoate (CAS 725-05-3) is a chemical compound with molecular formula C14H11O3- and molecular weight 227.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methoxyphenyl)benzoate
Also Known As: 3-(4-methoxyphenyl)benzoate, 4'-methoxybiphenyl-3-carboxylic acid, I14-8177
| Molecular Formula | C14H11O3- |
|---|---|
| Molecular Weight | 227.07 g/mol |
| LogP | 1.7257 |
| Topological Polar Surface Area | 49.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.07082 |
| Heavy Atoms | 17 |
| Complexity | 529.4185 |
Chemical Identifiers
| CAS Number | 725-05-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)[O-] |
Product Overview
3-(4-Methoxyphenyl)benzoate (CAS 725-05-3), with molecular formula C14H11O3- and molecular weight 227.07 g/mol. IUPAC: 3-(4-methoxyphenyl)benzoate.
Chemical Property Profile of 3-(4-Methoxyphenyl)benzoate
Property Insights of 3-(4-Methoxyphenyl)benzoate
The XLogP value of 1.7257 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Methoxyphenyl)benzoate. With a topological polar surface area (TPSA) of 49.36 Ų, 3-(4-Methoxyphenyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Methoxyphenyl)benzoate 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 3-(4-Methoxyphenyl)benzoate?
The CAS number of 3-(4-Methoxyphenyl)benzoate is 725-05-3.
What is the molecular formula of 3-(4-Methoxyphenyl)benzoate?
The molecular formula of 3-(4-Methoxyphenyl)benzoate is C14H11O3-.
What is the molecular weight of 3-(4-Methoxyphenyl)benzoate?
The molecular weight of 3-(4-Methoxyphenyl)benzoate is 227.07 g/mol.
Where can I buy 3-(4-Methoxyphenyl)benzoate?
You can request a quote for 3-(4-Methoxyphenyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Methoxyphenyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methoxyphenyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.