p-Cresol benzoate
TL;DR: p-Cresol benzoate (CAS 614-34-6) 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.
(4-methylphenyl) benzoate
Also Known As: p-Tolyl benzoate, 4-Methylphenyl benzoate, p-Cresol benzoate, p-Cresyl benzoate, 4-Cresyl benzoate
| Molecular Formula | C14H12O2 |
|---|---|
| Molecular Weight | 212.08 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.08372 |
| Heavy Atoms | 16 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 614-34-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2 |
| InChIKey | LLRZUDIHEZXFGV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Cresol benzoate (CAS 614-34-6), with molecular formula C14H12O2 and molecular weight 212.08 g/mol. IUPAC: (4-methylphenyl) benzoate.
Chemical Property Profile of p-Cresol benzoate
Property Insights of p-Cresol benzoate
The XLogP value of 4.0 indicates that p-Cresol benzoate 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-Cresol benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Cresol benzoate 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-Cresol benzoate?
The CAS number of p-Cresol benzoate is 614-34-6.
What is the molecular formula of p-Cresol benzoate?
The molecular formula of p-Cresol benzoate is C14H12O2.
What is the molecular weight of p-Cresol benzoate?
The molecular weight of p-Cresol benzoate is 212.08 g/mol.
Where can I buy p-Cresol benzoate?
You can request a quote for p-Cresol benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Cresol benzoate?
Yes, KEHONG BIO provides custom synthesis services for p-Cresol benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.