Ethyl (2E)-3-methyl-4-oxo-2-butenoate
TL;DR: Ethyl (2E)-3-methyl-4-oxo-2-butenoate (CAS 41891-38-7) is a chemical compound with molecular formula C7H10O3 and molecular weight 142.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-3-methyl-4-oxobut-2-enoate
Also Known As: Ethyl 3-methyl-4-oxocrotonate, ethyl 3-methyl-4-oxobut-2-enoate, (E)-ethyl 3-methyl-4-oxobut-2-enoate, Ethyl (2E)-3-Methyl-4-oxobut-2-enoate, Ethyl trans-3-Methyl-4-oxocrotonate
| Molecular Formula | C7H10O3 |
|---|---|
| Molecular Weight | 142.06 g/mol |
| LogP | 0.6947 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 142.06299 |
| Heavy Atoms | 10 |
| Complexity | 158.23416 |
Chemical Identifiers
| CAS Number | 41891-38-7 |
|---|---|
| SMILES | CCOC(=O)/C=C(\C)/C=O |
Product Overview
Ethyl (2E)-3-methyl-4-oxo-2-butenoate (CAS 41891-38-7), with molecular formula C7H10O3 and molecular weight 142.06 g/mol. IUPAC: ethyl (E)-3-methyl-4-oxobut-2-enoate.
Chemical Property Profile of Ethyl (2E)-3-methyl-4-oxo-2-butenoate
Property Insights of Ethyl (2E)-3-methyl-4-oxo-2-butenoate
The XLogP value of 0.6947 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (2E)-3-methyl-4-oxo-2-butenoate. With a topological polar surface area (TPSA) of 43.37 Ų, Ethyl (2E)-3-methyl-4-oxo-2-butenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (2E)-3-methyl-4-oxo-2-butenoate 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 Ethyl (2E)-3-methyl-4-oxo-2-butenoate?
The CAS number of Ethyl (2E)-3-methyl-4-oxo-2-butenoate is 41891-38-7.
What is the molecular formula of Ethyl (2E)-3-methyl-4-oxo-2-butenoate?
The molecular formula of Ethyl (2E)-3-methyl-4-oxo-2-butenoate is C7H10O3.
What is the molecular weight of Ethyl (2E)-3-methyl-4-oxo-2-butenoate?
The molecular weight of Ethyl (2E)-3-methyl-4-oxo-2-butenoate is 142.06 g/mol.
Where can I buy Ethyl (2E)-3-methyl-4-oxo-2-butenoate?
You can request a quote for Ethyl (2E)-3-methyl-4-oxo-2-butenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (2E)-3-methyl-4-oxo-2-butenoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (2E)-3-methyl-4-oxo-2-butenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.