Methyl 3-phenylbenzoate
TL;DR: Methyl 3-phenylbenzoate (CAS 16606-00-1) is a chemical compound with molecular formula C14H12O2 and molecular weight 212.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-phenylbenzoate
Also Known As: Methyl 3-phenylbenzoate, Biphenyl 3-carboxylic acid methyl ester, METHYL [1,1'-BIPHENYL]-3-CARBOXYLATE, Methyl biphenyl-3-carboxylate, Methyl Biphenyl 3-carboxylate
| Molecular Formula | C14H12O2 |
|---|---|
| Molecular Weight | 212.08 g/mol |
| LogP | 3.1402 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.08372 |
| Heavy Atoms | 16 |
| Complexity | 489.09836 |
Chemical Identifiers
| CAS Number | 16606-00-1 |
|---|---|
| SMILES | COC(=O)C1=CC=CC(=C1)C2=CC=CC=C2 |
Product Overview
Methyl 3-phenylbenzoate (CAS 16606-00-1), with molecular formula C14H12O2 and molecular weight 212.08 g/mol. IUPAC: methyl 3-phenylbenzoate.
Chemical Property Profile of Methyl 3-phenylbenzoate
Property Insights of Methyl 3-phenylbenzoate
The XLogP value of 3.1402 indicates that Methyl 3-phenylbenzoate 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-phenylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-phenylbenzoate 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-phenylbenzoate?
The CAS number of Methyl 3-phenylbenzoate is 16606-00-1.
What is the molecular formula of Methyl 3-phenylbenzoate?
The molecular formula of Methyl 3-phenylbenzoate is C14H12O2.
What is the molecular weight of Methyl 3-phenylbenzoate?
The molecular weight of Methyl 3-phenylbenzoate is 212.08 g/mol.
Where can I buy Methyl 3-phenylbenzoate?
You can request a quote for Methyl 3-phenylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-phenylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-phenylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.