p-Tolyl butyrate
TL;DR: p-Tolyl butyrate (CAS 14617-92-6) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylphenyl) butanoate
Also Known As: p-Tolyl butyrate, p-Cresyl butanoate, (4-methylphenyl) butanoate, p-Cresyl n-butyrate, p-tolyl butanoate
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 14617-92-6 |
|---|---|
| SMILES | CCCC(=O)OC1=CC=C(C=C1)C |
| InChIKey | RRXBRABFDRJAPX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Tolyl butyrate (CAS 14617-92-6), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: (4-methylphenyl) butanoate.
Chemical Property Profile of p-Tolyl butyrate
Property Insights of p-Tolyl butyrate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Tolyl butyrate. With a topological polar surface area (TPSA) of 26.3 Ų, p-Tolyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Tolyl butyrate 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-Tolyl butyrate?
The CAS number of p-Tolyl butyrate is 14617-92-6.
What is the molecular formula of p-Tolyl butyrate?
The molecular formula of p-Tolyl butyrate is C11H14O2.
What is the molecular weight of p-Tolyl butyrate?
The molecular weight of p-Tolyl butyrate is 178.10 g/mol.
Where can I buy p-Tolyl butyrate?
You can request a quote for p-Tolyl butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Tolyl butyrate?
Yes, KEHONG BIO provides custom synthesis services for p-Tolyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.