Benzoic acid, 4-(4-methylbenzoyl)-, methyl ester
TL;DR: Benzoic acid, 4-(4-methylbenzoyl)-, methyl ester (CAS 64141-11-3) 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 4-(4-methylbenzoyl)benzoate
Also Known As: Methyl 4-(4-methylbenzoyl)benzoate, Benzoic acid, 4-(4-methylbenzoyl)-, methyl ester, methyl 4'-methylbenzophenone-4-carboxylate, 4-(Methoxycarbonyl)-4 -methylbenzophenone, 4-(p-Methylbenzoyl)benzoic acid methyl ester
| Molecular Formula | C16H14O3 |
|---|---|
| Molecular Weight | 254.09 g/mol |
| LogP | 4.0 |
| 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 | 321.0 |
Chemical Identifiers
| CAS Number | 64141-11-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)OC |
| InChIKey | VOWAVMDPONAQPR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 4-(4-methylbenzoyl)-, methyl ester (CAS 64141-11-3), with molecular formula C16H14O3 and molecular weight 254.09 g/mol. IUPAC: methyl 4-(4-methylbenzoyl)benzoate.
Chemical Property Profile of Benzoic acid, 4-(4-methylbenzoyl)-, methyl ester
Property Insights of Benzoic acid, 4-(4-methylbenzoyl)-, methyl ester
The XLogP value of 4.0 indicates that Benzoic acid, 4-(4-methylbenzoyl)-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Benzoic acid, 4-(4-methylbenzoyl)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-(4-methylbenzoyl)-, methyl ester 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 Benzoic acid, 4-(4-methylbenzoyl)-, methyl ester?
The CAS number of Benzoic acid, 4-(4-methylbenzoyl)-, methyl ester is 64141-11-3.
What is the molecular formula of Benzoic acid, 4-(4-methylbenzoyl)-, methyl ester?
The molecular formula of Benzoic acid, 4-(4-methylbenzoyl)-, methyl ester is C16H14O3.
What is the molecular weight of Benzoic acid, 4-(4-methylbenzoyl)-, methyl ester?
The molecular weight of Benzoic acid, 4-(4-methylbenzoyl)-, methyl ester is 254.09 g/mol.
Where can I buy Benzoic acid, 4-(4-methylbenzoyl)-, methyl ester?
You can request a quote for Benzoic acid, 4-(4-methylbenzoyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-(4-methylbenzoyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(4-methylbenzoyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.