2-(4-Methylphenyl)butanoate
TL;DR: 2-(4-Methylphenyl)butanoate (CAS 14225-75-3) is a chemical compound with molecular formula C11H13O2- and molecular weight 177.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)butanoate
Also Known As: ethyl(4-methylphenyl)acetate, 2-(4-methylphenyl)butanoate
| Molecular Formula | C11H13O2- |
|---|---|
| Molecular Weight | 177.09 g/mol |
| LogP | 1.23852 |
| Topological Polar Surface Area | 40.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 177.09155 |
| Heavy Atoms | 13 |
| Complexity | 287.46353 |
Chemical Identifiers
| CAS Number | 14225-75-3 |
|---|---|
| SMILES | CCC(C1=CC=C(C=C1)C)C(=O)[O-] |
Product Overview
2-(4-Methylphenyl)butanoate (CAS 14225-75-3), with molecular formula C11H13O2- and molecular weight 177.09 g/mol. IUPAC: 2-(4-methylphenyl)butanoate.
Chemical Property Profile of 2-(4-Methylphenyl)butanoate
Property Insights of 2-(4-Methylphenyl)butanoate
The XLogP value of 1.23852 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Methylphenyl)butanoate. With a topological polar surface area (TPSA) of 40.13 Ų, 2-(4-Methylphenyl)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Methylphenyl)butanoate 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-(4-Methylphenyl)butanoate?
The CAS number of 2-(4-Methylphenyl)butanoate is 14225-75-3.
What is the molecular formula of 2-(4-Methylphenyl)butanoate?
The molecular formula of 2-(4-Methylphenyl)butanoate is C11H13O2-.
What is the molecular weight of 2-(4-Methylphenyl)butanoate?
The molecular weight of 2-(4-Methylphenyl)butanoate is 177.09 g/mol.
Where can I buy 2-(4-Methylphenyl)butanoate?
You can request a quote for 2-(4-Methylphenyl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methylphenyl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methylphenyl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.