Methyl 3-(4-tert-butylphenyl)-3-oxopropanoate
TL;DR: Methyl 3-(4-tert-butylphenyl)-3-oxopropanoate (CAS 200280-57-5) is a chemical compound with molecular formula C14H18O3 and molecular weight 234.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-tert-butylphenyl)-3-oxopropanoate
Also Known As: methyl 3-(4-tert-butylphenyl)-3-oxopropanoate, Methyl 3-(4-(tert-butyl)phenyl)-3-oxopropanoate, 3-(4-tert-Butyl-phenyl)-3-oxo-propionic acid methyl ester, 3-(4-tert-butylphenyl)-3-oxo-propionic acidmethyl ester, Methyl 3-[4-(tert-Butyl)phenyl]-3-oxopropionate
| Molecular Formula | C14H18O3 |
|---|---|
| Molecular Weight | 234.13 g/mol |
| LogP | 2.7299 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.1256 |
| Heavy Atoms | 17 |
| Complexity | 410.08862 |
Chemical Identifiers
| CAS Number | 200280-57-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)CC(=O)OC |
Product Overview
Methyl 3-(4-tert-butylphenyl)-3-oxopropanoate (CAS 200280-57-5), with molecular formula C14H18O3 and molecular weight 234.13 g/mol. IUPAC: methyl 3-(4-tert-butylphenyl)-3-oxopropanoate.
Chemical Property Profile of Methyl 3-(4-tert-butylphenyl)-3-oxopropanoate
Property Insights of Methyl 3-(4-tert-butylphenyl)-3-oxopropanoate
The XLogP value of 2.7299 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(4-tert-butylphenyl)-3-oxopropanoate. With a topological polar surface area (TPSA) of 43.37 Ų, Methyl 3-(4-tert-butylphenyl)-3-oxopropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(4-tert-butylphenyl)-3-oxopropanoate has 0 hydrogen bond donor(s) and 3 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 Methyl 3-(4-tert-butylphenyl)-3-oxopropanoate?
The CAS number of Methyl 3-(4-tert-butylphenyl)-3-oxopropanoate is 200280-57-5.
What is the molecular formula of Methyl 3-(4-tert-butylphenyl)-3-oxopropanoate?
The molecular formula of Methyl 3-(4-tert-butylphenyl)-3-oxopropanoate is C14H18O3.
What is the molecular weight of Methyl 3-(4-tert-butylphenyl)-3-oxopropanoate?
The molecular weight of Methyl 3-(4-tert-butylphenyl)-3-oxopropanoate is 234.13 g/mol.
Where can I buy Methyl 3-(4-tert-butylphenyl)-3-oxopropanoate?
You can request a quote for Methyl 3-(4-tert-butylphenyl)-3-oxopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(4-tert-butylphenyl)-3-oxopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(4-tert-butylphenyl)-3-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.