2-Methylpropionic acid, 3-methylphenyl ester
TL;DR: 2-Methylpropionic acid, 3-methylphenyl ester (CAS 36438-55-8) 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.
(3-methylphenyl) 2-methylpropanoate
Also Known As: Isobuttersaure-m-kresylester, 3-methylphenyl 2-methylpropanoate, (3-methylphenyl) 2-methylpropanoate, 3-methylphenyl 2-methylpropionate, 2-Methylpropionic acid, 3-methylphenyl ester
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 3.1 |
| 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 | 175.0 |
Chemical Identifiers
| CAS Number | 36438-55-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OC(=O)C(C)C |
| InChIKey | CGXNGUPLQGZMAC-UHFFFAOYSA-N |
Product Overview
2-Methylpropionic acid, 3-methylphenyl ester (CAS 36438-55-8), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: (3-methylphenyl) 2-methylpropanoate.
Chemical Property Profile of 2-Methylpropionic acid, 3-methylphenyl ester
Property Insights of 2-Methylpropionic acid, 3-methylphenyl ester
The XLogP value of 3.1 indicates that 2-Methylpropionic acid, 3-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, 2-Methylpropionic acid, 3-methylphenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylpropionic acid, 3-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 2-Methylpropionic acid, 3-methylphenyl ester?
The CAS number of 2-Methylpropionic acid, 3-methylphenyl ester is 36438-55-8.
What is the molecular formula of 2-Methylpropionic acid, 3-methylphenyl ester?
The molecular formula of 2-Methylpropionic acid, 3-methylphenyl ester is C11H14O2.
What is the molecular weight of 2-Methylpropionic acid, 3-methylphenyl ester?
The molecular weight of 2-Methylpropionic acid, 3-methylphenyl ester is 178.10 g/mol.
Where can I buy 2-Methylpropionic acid, 3-methylphenyl ester?
You can request a quote for 2-Methylpropionic acid, 3-methylphenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylpropionic acid, 3-methylphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylpropionic acid, 3-methylphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.