Methyl 4-oxo-4-(2-propan-2-ylanilino)but-2-enoate
TL;DR: Methyl 4-oxo-4-(2-propan-2-ylanilino)but-2-enoate (CAS 724736-41-8) is a chemical compound with molecular formula C14H17NO3 and molecular weight 247.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-oxo-4-(2-propan-2-ylanilino)but-2-enoate
Also Known As: methyl 4-(2-isopropylanilino)-4-oxo-2-butenoate, methyl 4-oxo-4-(2-propan-2-ylanilino)but-2-enoate
| Molecular Formula | C14H17NO3 |
|---|---|
| Molecular Weight | 247.12 g/mol |
| LogP | 2.4777 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.12085 |
| Heavy Atoms | 18 |
| Complexity | 463.86185 |
Chemical Identifiers
| CAS Number | 724736-41-8 |
|---|---|
| SMILES | CC(C)C1=CC=CC=C1NC(=O)C=CC(=O)OC |
Product Overview
Methyl 4-oxo-4-(2-propan-2-ylanilino)but-2-enoate (CAS 724736-41-8), with molecular formula C14H17NO3 and molecular weight 247.12 g/mol. IUPAC: methyl 4-oxo-4-(2-propan-2-ylanilino)but-2-enoate.
Chemical Property Profile of Methyl 4-oxo-4-(2-propan-2-ylanilino)but-2-enoate
Property Insights of Methyl 4-oxo-4-(2-propan-2-ylanilino)but-2-enoate
The XLogP value of 2.4777 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-oxo-4-(2-propan-2-ylanilino)but-2-enoate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 4-oxo-4-(2-propan-2-ylanilino)but-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-oxo-4-(2-propan-2-ylanilino)but-2-enoate has 1 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 4-oxo-4-(2-propan-2-ylanilino)but-2-enoate?
The CAS number of Methyl 4-oxo-4-(2-propan-2-ylanilino)but-2-enoate is 724736-41-8.
What is the molecular formula of Methyl 4-oxo-4-(2-propan-2-ylanilino)but-2-enoate?
The molecular formula of Methyl 4-oxo-4-(2-propan-2-ylanilino)but-2-enoate is C14H17NO3.
What is the molecular weight of Methyl 4-oxo-4-(2-propan-2-ylanilino)but-2-enoate?
The molecular weight of Methyl 4-oxo-4-(2-propan-2-ylanilino)but-2-enoate is 247.12 g/mol.
Where can I buy Methyl 4-oxo-4-(2-propan-2-ylanilino)but-2-enoate?
You can request a quote for Methyl 4-oxo-4-(2-propan-2-ylanilino)but-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-oxo-4-(2-propan-2-ylanilino)but-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-oxo-4-(2-propan-2-ylanilino)but-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.