p-Cresyl isovalerate
TL;DR: p-Cresyl isovalerate (CAS 55066-56-3) 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) 3-methylbutanoate
Also Known As: p-Cresyl isovalerate, p-Tolyl isovalerate, p-Tolyl 3-methylbutanoate, Isovaleric acid p-tolyl ester, p-Cresol Isovalerate
| 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 | 4 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 179.0 |
| Density | 0.977-0.987 |
| Solubility | insoluble in water; soluble in oils |
| Refractive Index | 1.485-1489 |
Chemical Identifiers
| CAS Number | 55066-56-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OC(=O)CC(C)C |
| InChIKey | MVDPTWHTUYDLTL-UHFFFAOYSA-N |
Product Overview
p-Cresyl isovalerate (CAS 55066-56-3), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: (4-methylphenyl) 3-methylbutanoate.
Chemical Property Profile of p-Cresyl isovalerate
Property Insights of p-Cresyl isovalerate
The XLogP value of 3.5 indicates that p-Cresyl isovalerate 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 isovalerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Cresyl isovalerate 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 isovalerate?
The CAS number of p-Cresyl isovalerate is 55066-56-3.
What is the molecular formula of p-Cresyl isovalerate?
The molecular formula of p-Cresyl isovalerate is C12H16O2.
What is the molecular weight of p-Cresyl isovalerate?
The molecular weight of p-Cresyl isovalerate is 192.12 g/mol.
Where can I buy p-Cresyl isovalerate?
You can request a quote for p-Cresyl isovalerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Cresyl isovalerate?
Yes, KEHONG BIO provides custom synthesis services for p-Cresyl isovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.