p-Toluic acid, 3,5-dimethylphenyl ester
TL;DR: p-Toluic acid, 3,5-dimethylphenyl ester (CAS 62261-93-2) 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.
(3,5-dimethylphenyl) 4-methylbenzoate
Also Known As: 3.5-dimethylphenyl p-toluate, p-Toluic acid, 3,5-dimethylphenyl ester, 3,5-dimethylphenyl 4-methylbenzoate, (3,5-dimethylphenyl) 4-methylbenzoate, Benzoic acid, 4-methyl-, 3,5-dimethylphenyl ester
| Molecular Formula | C16H16O2 |
|---|---|
| Molecular Weight | 240.12 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.11504 |
| Heavy Atoms | 18 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 62261-93-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OC2=CC(=CC(=C2)C)C |
| InChIKey | UDYNJQBTHMSEBU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Toluic acid, 3,5-dimethylphenyl ester (CAS 62261-93-2), with molecular formula C16H16O2 and molecular weight 240.12 g/mol. IUPAC: (3,5-dimethylphenyl) 4-methylbenzoate.
Chemical Property Profile of p-Toluic acid, 3,5-dimethylphenyl ester
Property Insights of p-Toluic acid, 3,5-dimethylphenyl ester
The XLogP value of 4.4 indicates that p-Toluic acid, 3,5-dimethylphenyl 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, p-Toluic acid, 3,5-dimethylphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Toluic acid, 3,5-dimethylphenyl 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 p-Toluic acid, 3,5-dimethylphenyl ester?
The CAS number of p-Toluic acid, 3,5-dimethylphenyl ester is 62261-93-2.
What is the molecular formula of p-Toluic acid, 3,5-dimethylphenyl ester?
The molecular formula of p-Toluic acid, 3,5-dimethylphenyl ester is C16H16O2.
What is the molecular weight of p-Toluic acid, 3,5-dimethylphenyl ester?
The molecular weight of p-Toluic acid, 3,5-dimethylphenyl ester is 240.12 g/mol.
Where can I buy p-Toluic acid, 3,5-dimethylphenyl ester?
You can request a quote for p-Toluic acid, 3,5-dimethylphenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Toluic acid, 3,5-dimethylphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for p-Toluic acid, 3,5-dimethylphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.