p-Cresyl valerate
TL;DR: p-Cresyl valerate (CAS 10415-86-8) is a chemical compound with molecular formula C12H16O2 and molecular weight 192.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylphenyl) pentanoate
Also Known As: p-Cresyl valerate, 4-Methylphenyl valerate, 4-methylphenyl pentanoate, p-tolyl valerate, (4-methylphenyl) pentanoate
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 10415-86-8 |
|---|---|
| SMILES | CCCCC(=O)OC1=CC=C(C=C1)C |
| InChIKey | XDIFYXKFWPNGRV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Cresyl valerate (CAS 10415-86-8), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: (4-methylphenyl) pentanoate.
Chemical Property Profile of p-Cresyl valerate
Property Insights of p-Cresyl valerate
The XLogP value of 3.5 indicates that p-Cresyl valerate 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-Cresyl valerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Cresyl valerate 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-Cresyl valerate?
The CAS number of p-Cresyl valerate is 10415-86-8.
What is the molecular formula of p-Cresyl valerate?
The molecular formula of p-Cresyl valerate is C12H16O2.
What is the molecular weight of p-Cresyl valerate?
The molecular weight of p-Cresyl valerate is 192.12 g/mol.
Where can I buy p-Cresyl valerate?
You can request a quote for p-Cresyl valerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Cresyl valerate?
Yes, KEHONG BIO provides custom synthesis services for p-Cresyl valerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.