Methyl 2-benzoyl-3-methylbenzoate
TL;DR: Methyl 2-benzoyl-3-methylbenzoate (CAS 94501-26-5) is a chemical compound with molecular formula C16H14O3 and molecular weight 254.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-benzoyl-3-methylbenzoate
Also Known As: methyl 2-benzoyl-3-methylbenzoate, 2-Benzoyl-3-methyl-benzoesaeure-methylester, METHYL 2-BENZOYL-3-METHYL-BENZOATE, RefChem:354102
| Molecular Formula | C16H14O3 |
|---|---|
| Molecular Weight | 254.09 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.0943 |
| Heavy Atoms | 19 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 94501-26-5 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C(=O)OC)C(=O)C2=CC=CC=C2 |
| InChIKey | XEFUSINBBZMMBJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-benzoyl-3-methylbenzoate (CAS 94501-26-5), with molecular formula C16H14O3 and molecular weight 254.09 g/mol. IUPAC: methyl 2-benzoyl-3-methylbenzoate.
Chemical Property Profile of Methyl 2-benzoyl-3-methylbenzoate
Property Insights of Methyl 2-benzoyl-3-methylbenzoate
The XLogP value of 3.5 indicates that Methyl 2-benzoyl-3-methylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl 2-benzoyl-3-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-benzoyl-3-methylbenzoate 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 Methyl 2-benzoyl-3-methylbenzoate?
The CAS number of Methyl 2-benzoyl-3-methylbenzoate is 94501-26-5.
What is the molecular formula of Methyl 2-benzoyl-3-methylbenzoate?
The molecular formula of Methyl 2-benzoyl-3-methylbenzoate is C16H14O3.
What is the molecular weight of Methyl 2-benzoyl-3-methylbenzoate?
The molecular weight of Methyl 2-benzoyl-3-methylbenzoate is 254.09 g/mol.
Where can I buy Methyl 2-benzoyl-3-methylbenzoate?
You can request a quote for Methyl 2-benzoyl-3-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-benzoyl-3-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-benzoyl-3-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.