4-(4-Methylphenyl)benzoate
TL;DR: 4-(4-Methylphenyl)benzoate (CAS 720-73-0) is a chemical compound with molecular formula C14H11O2- and molecular weight 211.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylphenyl)benzoate
Also Known As: 4-(4-methylphenyl)benzoate, Chembrdg-Bb 4400188, 4'-methyl-4-biphenylcarboxylic acid, 4''-Methylbiphenyl-4-carboxylic acid
| Molecular Formula | C14H11O2- |
|---|---|
| Molecular Weight | 211.08 g/mol |
| LogP | 2.02552 |
| Topological Polar Surface Area | 40.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.0759 |
| Heavy Atoms | 16 |
| Complexity | 495.2635 |
Chemical Identifiers
| CAS Number | 720-73-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)[O-] |
Product Overview
4-(4-Methylphenyl)benzoate (CAS 720-73-0), with molecular formula C14H11O2- and molecular weight 211.08 g/mol. IUPAC: 4-(4-methylphenyl)benzoate.
Chemical Property Profile of 4-(4-Methylphenyl)benzoate
Property Insights of 4-(4-Methylphenyl)benzoate
The XLogP value of 2.02552 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Methylphenyl)benzoate. With a topological polar surface area (TPSA) of 40.13 Ų, 4-(4-Methylphenyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Methylphenyl)benzoate has 0 hydrogen bond donor(s) and 2 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-(4-Methylphenyl)benzoate?
The CAS number of 4-(4-Methylphenyl)benzoate is 720-73-0.
What is the molecular formula of 4-(4-Methylphenyl)benzoate?
The molecular formula of 4-(4-Methylphenyl)benzoate is C14H11O2-.
What is the molecular weight of 4-(4-Methylphenyl)benzoate?
The molecular weight of 4-(4-Methylphenyl)benzoate is 211.08 g/mol.
Where can I buy 4-(4-Methylphenyl)benzoate?
You can request a quote for 4-(4-Methylphenyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Methylphenyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Methylphenyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.