Methyl 3-(4-acetylphenyl)propanoate
TL;DR: Methyl 3-(4-acetylphenyl)propanoate (CAS 91671-15-7) is a chemical compound with molecular formula C12H14O3 and molecular weight 206.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-acetylphenyl)propanoate
Also Known As: methyl 3-(4-acetylphenyl)propanoate, METHYL3- PROPANOATE, Pyridine,2-iodo-5-methyl-,1-oxide, 3-(4-Acetylphenyl)propanoic acid methyl ester, 3-(4-Acetylphenyl)propionic acid methyl ester
| Molecular Formula | C12H14O3 |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 206.0943 |
| Heavy Atoms | 15 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 91671-15-7 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)CCC(=O)OC |
| InChIKey | JSMIOKNEVAVMBO-UHFFFAOYSA-N |
Product Overview
Methyl 3-(4-acetylphenyl)propanoate (CAS 91671-15-7), with molecular formula C12H14O3 and molecular weight 206.09 g/mol. IUPAC: methyl 3-(4-acetylphenyl)propanoate.
Chemical Property Profile of Methyl 3-(4-acetylphenyl)propanoate
Property Insights of Methyl 3-(4-acetylphenyl)propanoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(4-acetylphenyl)propanoate. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl 3-(4-acetylphenyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(4-acetylphenyl)propanoate 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-acetylphenyl)propanoate?
The CAS number of Methyl 3-(4-acetylphenyl)propanoate is 91671-15-7.
What is the molecular formula of Methyl 3-(4-acetylphenyl)propanoate?
The molecular formula of Methyl 3-(4-acetylphenyl)propanoate is C12H14O3.
What is the molecular weight of Methyl 3-(4-acetylphenyl)propanoate?
The molecular weight of Methyl 3-(4-acetylphenyl)propanoate is 206.09 g/mol.
Where can I buy Methyl 3-(4-acetylphenyl)propanoate?
You can request a quote for Methyl 3-(4-acetylphenyl)propanoate 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-acetylphenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(4-acetylphenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.