p-TOLYL ISOBUTYRATE
TL;DR: p-TOLYL ISOBUTYRATE (CAS 103-93-5) 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) 2-methylpropanoate
Also Known As: p-Tolyl isobutyrate, p-Cresyl isobutyrate, p-Methylphenyl isobutyrate, p-TolylIsobutyrate, p-tolylisobutyrat
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 167.0 |
| Density | 0.990-0.997 |
| Solubility | insoluble in water; soluble in oils |
| Refractive Index | 1.484-1.490 |
Chemical Identifiers
| CAS Number | 103-93-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OC(=O)C(C)C |
| InChIKey | UPPSFGGDKACIKP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-TOLYL ISOBUTYRATE (CAS 103-93-5), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: (4-methylphenyl) 2-methylpropanoate.
Chemical Property Profile of p-TOLYL ISOBUTYRATE
Property Insights of p-TOLYL ISOBUTYRATE
The XLogP value of 3.2 indicates that p-TOLYL ISOBUTYRATE 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-TOLYL ISOBUTYRATE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-TOLYL ISOBUTYRATE 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 ISOBUTYRATE?
The CAS number of p-TOLYL ISOBUTYRATE is 103-93-5.
What is the molecular formula of p-TOLYL ISOBUTYRATE?
The molecular formula of p-TOLYL ISOBUTYRATE is C11H14O2.
What is the molecular weight of p-TOLYL ISOBUTYRATE?
The molecular weight of p-TOLYL ISOBUTYRATE is 178.10 g/mol.
Where can I buy p-TOLYL ISOBUTYRATE?
You can request a quote for p-TOLYL ISOBUTYRATE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-TOLYL ISOBUTYRATE?
Yes, KEHONG BIO provides custom synthesis services for p-TOLYL ISOBUTYRATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.