Methyl 3-(4-methylphenyl)benzoate
TL;DR: Methyl 3-(4-methylphenyl)benzoate (CAS 114772-33-7) is a chemical compound with molecular formula C15H14O2 and molecular weight 226.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-methylphenyl)benzoate
Also Known As: Methyl 3-(4-methylphenyl)benzoate, Methyl 4'-methyl-[1,1'-biphenyl]-3-carboxylate, AMTDA210, methyl 4'-methylbiphenyl-3-carboxylate, [1,1'-Biphenyl]-3-carboxylic acid, 4'-methyl-, methyl ester
| Molecular Formula | C15H14O2 |
|---|---|
| Molecular Weight | 226.10 g/mol |
| LogP | 3.44862 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.09938 |
| Heavy Atoms | 17 |
| Complexity | 526.873 |
Chemical Identifiers
| CAS Number | 114772-33-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)OC |
Product Overview
Methyl 3-(4-methylphenyl)benzoate (CAS 114772-33-7), with molecular formula C15H14O2 and molecular weight 226.10 g/mol. IUPAC: methyl 3-(4-methylphenyl)benzoate.
Chemical Property Profile of Methyl 3-(4-methylphenyl)benzoate
Property Insights of Methyl 3-(4-methylphenyl)benzoate
The XLogP value of 3.44862 indicates that Methyl 3-(4-methylphenyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 3-(4-methylphenyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(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 Methyl 3-(4-methylphenyl)benzoate?
The CAS number of Methyl 3-(4-methylphenyl)benzoate is 114772-33-7.
What is the molecular formula of Methyl 3-(4-methylphenyl)benzoate?
The molecular formula of Methyl 3-(4-methylphenyl)benzoate is C15H14O2.
What is the molecular weight of Methyl 3-(4-methylphenyl)benzoate?
The molecular weight of Methyl 3-(4-methylphenyl)benzoate is 226.10 g/mol.
Where can I buy Methyl 3-(4-methylphenyl)benzoate?
You can request a quote for Methyl 3-(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 Methyl 3-(4-methylphenyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(4-methylphenyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.