Butanoic acid, 2-methyl-, 4-methylphenyl ester
TL;DR: Butanoic acid, 2-methyl-, 4-methylphenyl ester (CAS 67952-39-0) 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) 2-methylbutanoate
Also Known As: p-Cresyl 2-methylbutyrate, p-Tolyl 2-methylbutyrate, (4-methylphenyl) 2-methylbutanoate, 4-METHYLPHENYL 2-METHYLBUTANOATE, Butanoic acid, 2-methyl-, 4-methylphenyl ester
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 3.4 |
| 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 | 181.0 |
Chemical Identifiers
| CAS Number | 67952-39-0 |
|---|---|
| SMILES | CCC(C)C(=O)OC1=CC=C(C=C1)C |
| InChIKey | MZRLUHCGJZLAER-UHFFFAOYSA-N |
Product Overview
Butanoic acid, 2-methyl-, 4-methylphenyl ester (CAS 67952-39-0), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: (4-methylphenyl) 2-methylbutanoate.
Chemical Property Profile of Butanoic acid, 2-methyl-, 4-methylphenyl ester
Property Insights of Butanoic acid, 2-methyl-, 4-methylphenyl ester
The XLogP value of 3.4 indicates that Butanoic acid, 2-methyl-, 4-methylphenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Butanoic acid, 2-methyl-, 4-methylphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid, 2-methyl-, 4-methylphenyl ester 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 Butanoic acid, 2-methyl-, 4-methylphenyl ester?
The CAS number of Butanoic acid, 2-methyl-, 4-methylphenyl ester is 67952-39-0.
What is the molecular formula of Butanoic acid, 2-methyl-, 4-methylphenyl ester?
The molecular formula of Butanoic acid, 2-methyl-, 4-methylphenyl ester is C12H16O2.
What is the molecular weight of Butanoic acid, 2-methyl-, 4-methylphenyl ester?
The molecular weight of Butanoic acid, 2-methyl-, 4-methylphenyl ester is 192.12 g/mol.
Where can I buy Butanoic acid, 2-methyl-, 4-methylphenyl ester?
You can request a quote for Butanoic acid, 2-methyl-, 4-methylphenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 2-methyl-, 4-methylphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 2-methyl-, 4-methylphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.