Methyl 4-(4-methoxyphenyl)-2-oxo-3-butenoate
TL;DR: Methyl 4-(4-methoxyphenyl)-2-oxo-3-butenoate (CAS 162087-89-0) is a chemical compound with molecular formula C12H12O4 and molecular weight 220.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-methoxyphenyl)-2-oxobut-3-enoate
Also Known As: methyl 4-(4-methoxyphenyl)-2-oxobut-3-enoate, methyl 4-(4-methoxyphenyl)-2-oxo-3-butenoate, Methyl4-(4-methoxyphenyl)-2-oxobut-3-enoate, methyl 4-(4-methoxyphenyl)-2-oxo-but-3-enoate, 3-Butenoic acid, 4-(4-methoxyphenyl)-2-oxo-, methyl ester, (3E)-
| Molecular Formula | C12H12O4 |
|---|---|
| Molecular Weight | 220.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 220.07356 |
| Heavy Atoms | 16 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 162087-89-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C=CC(=O)C(=O)OC |
| InChIKey | PYDDGUYDXOJSJA-UHFFFAOYSA-N |
Product Overview
Methyl 4-(4-methoxyphenyl)-2-oxo-3-butenoate (CAS 162087-89-0), with molecular formula C12H12O4 and molecular weight 220.07 g/mol. IUPAC: methyl 4-(4-methoxyphenyl)-2-oxobut-3-enoate.
Chemical Property Profile of Methyl 4-(4-methoxyphenyl)-2-oxo-3-butenoate
Property Insights of Methyl 4-(4-methoxyphenyl)-2-oxo-3-butenoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(4-methoxyphenyl)-2-oxo-3-butenoate. With a topological polar surface area (TPSA) of 52.6 Ų, Methyl 4-(4-methoxyphenyl)-2-oxo-3-butenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(4-methoxyphenyl)-2-oxo-3-butenoate has 0 hydrogen bond donor(s) and 4 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 4-(4-methoxyphenyl)-2-oxo-3-butenoate?
The CAS number of Methyl 4-(4-methoxyphenyl)-2-oxo-3-butenoate is 162087-89-0.
What is the molecular formula of Methyl 4-(4-methoxyphenyl)-2-oxo-3-butenoate?
The molecular formula of Methyl 4-(4-methoxyphenyl)-2-oxo-3-butenoate is C12H12O4.
What is the molecular weight of Methyl 4-(4-methoxyphenyl)-2-oxo-3-butenoate?
The molecular weight of Methyl 4-(4-methoxyphenyl)-2-oxo-3-butenoate is 220.07 g/mol.
Where can I buy Methyl 4-(4-methoxyphenyl)-2-oxo-3-butenoate?
You can request a quote for Methyl 4-(4-methoxyphenyl)-2-oxo-3-butenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(4-methoxyphenyl)-2-oxo-3-butenoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(4-methoxyphenyl)-2-oxo-3-butenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.