Benzoic acid, 4-methyl-, (4-methylphenyl)methyl ester
TL;DR: Benzoic acid, 4-methyl-, (4-methylphenyl)methyl ester (CAS 21086-87-3) is a chemical compound with molecular formula C16H16O2 and molecular weight 240.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylphenyl)methyl 4-methylbenzoate
Also Known As: p-Methylbenzyl p-toluate, (4-Methylphenyl)methyl 4-methylbenzoate, (4-Methylphenyl)methyl p-toluate, p-Toluic acid, p-xylyl ester, 4-Methylbenzyl 4-methylbenzoate
| Molecular Formula | C16H16O2 |
|---|---|
| Molecular Weight | 240.12 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 240.11504 |
| Heavy Atoms | 18 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 21086-87-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)C |
| InChIKey | JSMHXVURHYHQGT-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-methyl-, (4-methylphenyl)methyl ester (CAS 21086-87-3), with molecular formula C16H16O2 and molecular weight 240.12 g/mol. IUPAC: (4-methylphenyl)methyl 4-methylbenzoate.
Chemical Property Profile of Benzoic acid, 4-methyl-, (4-methylphenyl)methyl ester
Property Insights of Benzoic acid, 4-methyl-, (4-methylphenyl)methyl ester
The XLogP value of 4.7 indicates that Benzoic acid, 4-methyl-, (4-methylphenyl)methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzoic acid, 4-methyl-, (4-methylphenyl)methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-methyl-, (4-methylphenyl)methyl ester 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 Benzoic acid, 4-methyl-, (4-methylphenyl)methyl ester?
The CAS number of Benzoic acid, 4-methyl-, (4-methylphenyl)methyl ester is 21086-87-3.
What is the molecular formula of Benzoic acid, 4-methyl-, (4-methylphenyl)methyl ester?
The molecular formula of Benzoic acid, 4-methyl-, (4-methylphenyl)methyl ester is C16H16O2.
What is the molecular weight of Benzoic acid, 4-methyl-, (4-methylphenyl)methyl ester?
The molecular weight of Benzoic acid, 4-methyl-, (4-methylphenyl)methyl ester is 240.12 g/mol.
Where can I buy Benzoic acid, 4-methyl-, (4-methylphenyl)methyl ester?
You can request a quote for Benzoic acid, 4-methyl-, (4-methylphenyl)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-methyl-, (4-methylphenyl)methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-methyl-, (4-methylphenyl)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.