Methyl 4-(2-methoxyanilino)-4-oxo-2-butenoate
TL;DR: Methyl 4-(2-methoxyanilino)-4-oxo-2-butenoate (CAS 86396-52-3) is a chemical compound with molecular formula C12H13NO4 and molecular weight 235.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-4-(2-methoxyanilino)-4-oxobut-2-enoate
Also Known As: methyl 4-(2-methoxyanilino)-4-oxo-2-butenoate, methyl (E)-4-(2-methoxyanilino)-4-oxobut-2-enoate, AQ-360/42568396
| Molecular Formula | C12H13NO4 |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 1.3629 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.08446 |
| Heavy Atoms | 17 |
| Complexity | 439.8867 |
Chemical Identifiers
| CAS Number | 86396-52-3 |
|---|---|
| SMILES | COC1=CC=CC=C1NC(=O)/C=C/C(=O)OC |
Product Overview
Methyl 4-(2-methoxyanilino)-4-oxo-2-butenoate (CAS 86396-52-3), with molecular formula C12H13NO4 and molecular weight 235.08 g/mol. IUPAC: methyl (E)-4-(2-methoxyanilino)-4-oxobut-2-enoate.
Chemical Property Profile of Methyl 4-(2-methoxyanilino)-4-oxo-2-butenoate
Property Insights of Methyl 4-(2-methoxyanilino)-4-oxo-2-butenoate
The XLogP value of 1.3629 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(2-methoxyanilino)-4-oxo-2-butenoate. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(2-methoxyanilino)-4-oxo-2-butenoate. Following Lipinski's Rule of Five, Methyl 4-(2-methoxyanilino)-4-oxo-2-butenoate has 1 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-(2-methoxyanilino)-4-oxo-2-butenoate?
The CAS number of Methyl 4-(2-methoxyanilino)-4-oxo-2-butenoate is 86396-52-3.
What is the molecular formula of Methyl 4-(2-methoxyanilino)-4-oxo-2-butenoate?
The molecular formula of Methyl 4-(2-methoxyanilino)-4-oxo-2-butenoate is C12H13NO4.
What is the molecular weight of Methyl 4-(2-methoxyanilino)-4-oxo-2-butenoate?
The molecular weight of Methyl 4-(2-methoxyanilino)-4-oxo-2-butenoate is 235.08 g/mol.
Where can I buy Methyl 4-(2-methoxyanilino)-4-oxo-2-butenoate?
You can request a quote for Methyl 4-(2-methoxyanilino)-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 Methyl 4-(2-methoxyanilino)-4-oxo-2-butenoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(2-methoxyanilino)-4-oxo-2-butenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.