3-Butenoic acid, 2-oxo-4-phenyl-, methyl ester
TL;DR: 3-Butenoic acid, 2-oxo-4-phenyl-, methyl ester (CAS 100518-76-1) is a chemical compound with molecular formula C11H10O3 and molecular weight 190.06299 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (E)-2-oxo-4-phenylbut-3-enoate
Also Known As: methyl 2-oxo-4-phenylbut-3-enoate, methyl (E)-2-oxo-4-phenylbut-3-enoate, 3-Butenoic acid, 2-oxo-4-phenyl-, methyl ester, methyl (phenylmethylidene)pyruvate, (e)-methyl 2-oxo-4-phenylbut-3-enoate
Technical Specifications
| Molecular Formula | C11H10O3 |
| Molecular Weight | 190.06299 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 190.06299 Da |
| Heavy Atoms | 14 |
| Complexity | 237.0 |
| SMILES | COC(=O)C(=O)/C=C/C1=CC=CC=C1 |
| InChIKey | ZWDYRZGSCHGREX-BQYQJAHWSA-N |
Chemical Property Profile of 3-Butenoic acid, 2-oxo-4-phenyl-, methyl ester
Property Insights of 3-Butenoic acid, 2-oxo-4-phenyl-, methyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butenoic acid, 2-oxo-4-phenyl-, methyl ester. With a topological polar surface area (TPSA) of 43.4 Ų, 3-Butenoic acid, 2-oxo-4-phenyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butenoic acid, 2-oxo-4-phenyl-, methyl ester 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
What is the CAS number of 3-Butenoic acid, 2-oxo-4-phenyl-, methyl ester?
The CAS number of 3-Butenoic acid, 2-oxo-4-phenyl-, methyl ester is 100518-76-1.
What is the molecular formula of 3-Butenoic acid, 2-oxo-4-phenyl-, methyl ester?
The molecular formula of 3-Butenoic acid, 2-oxo-4-phenyl-, methyl ester is C11H10O3.
What is the molecular weight of 3-Butenoic acid, 2-oxo-4-phenyl-, methyl ester?
The molecular weight of 3-Butenoic acid, 2-oxo-4-phenyl-, methyl ester is 190.06299 g/mol.
Where can I buy 3-Butenoic acid, 2-oxo-4-phenyl-, methyl ester?
You can request a quote for 3-Butenoic acid, 2-oxo-4-phenyl-, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Butenoic acid, 2-oxo-4-phenyl-, methyl ester?
Yes, CoreyChem provides custom synthesis services for 3-Butenoic acid, 2-oxo-4-phenyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.