3-Methyl-3-(4-methylphenyl)butanoate
TL;DR: 3-Methyl-3-(4-methylphenyl)butanoate (CAS 42288-08-4) is a chemical compound with molecular formula C12H15O2- and molecular weight 191.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-3-(4-methylphenyl)butanoate
Also Known As: 3-methyl-3-(4-methylphenyl)butanoic acid
| Molecular Formula | C12H15O2- |
|---|---|
| Molecular Weight | 191.11 g/mol |
| LogP | 1.41262 |
| Topological Polar Surface Area | 40.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 191.10721 |
| Heavy Atoms | 14 |
| Complexity | 322.6799 |
Chemical Identifiers
| CAS Number | 42288-08-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(C)(C)CC(=O)[O-] |
Product Overview
3-Methyl-3-(4-methylphenyl)butanoate (CAS 42288-08-4), with molecular formula C12H15O2- and molecular weight 191.11 g/mol. IUPAC: 3-methyl-3-(4-methylphenyl)butanoate.
Chemical Property Profile of 3-Methyl-3-(4-methylphenyl)butanoate
Property Insights of 3-Methyl-3-(4-methylphenyl)butanoate
The XLogP value of 1.41262 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-3-(4-methylphenyl)butanoate. With a topological polar surface area (TPSA) of 40.13 Ų, 3-Methyl-3-(4-methylphenyl)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-3-(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 3-Methyl-3-(4-methylphenyl)butanoate?
The CAS number of 3-Methyl-3-(4-methylphenyl)butanoate is 42288-08-4.
What is the molecular formula of 3-Methyl-3-(4-methylphenyl)butanoate?
The molecular formula of 3-Methyl-3-(4-methylphenyl)butanoate is C12H15O2-.
What is the molecular weight of 3-Methyl-3-(4-methylphenyl)butanoate?
The molecular weight of 3-Methyl-3-(4-methylphenyl)butanoate is 191.11 g/mol.
Where can I buy 3-Methyl-3-(4-methylphenyl)butanoate?
You can request a quote for 3-Methyl-3-(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 3-Methyl-3-(4-methylphenyl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-3-(4-methylphenyl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.