(E)-ethyl 4-((4-(N-(5-methylisoxazol-3-yl)sulfamoyl)phenyl)amino)-4-oxobut-2-enoate
TL;DR: (E)-ethyl 4-((4-(N-(5-methylisoxazol-3-yl)sulfamoyl)phenyl)amino)-4-oxobut-2-enoate (CAS 356561-56-3) is a chemical compound with molecular formula C16H17N3O6S and molecular weight 379.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-4-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-4-oxobut-2-enoate
Also Known As: (E)-ethyl 4-((4-(N-(5-methylisoxazol-3-yl)sulfamoyl)phenyl)amino)-4-oxobut-2-enoate, ETHYL (2E)-3-({4-[(5-METHYL-1,2-OXAZOL-3-YL)SULFAMOYL]PHENYL}CARBAMOYL)PROP-2-ENOATE, ethyl (E)-4-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-4-oxobut-2-enoate, ethyl (2E)-4-({4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}amino)-4-oxobut-2-enoate, ethyl (E)-4-((4-(N-(5-methylisoxazol-3-yl)sulfamoyl)phenyl)amino)-4-oxobut-2-enoate
| Molecular Formula | C16H17N3O6S |
|---|---|
| Molecular Weight | 379.08 g/mol |
| LogP | 1.84162 |
| Topological Polar Surface Area | 127.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 379.0838 |
| Heavy Atoms | 26 |
| Complexity | 915.7167 |
Chemical Identifiers
| CAS Number | 356561-56-3 |
|---|---|
| SMILES | CCOC(=O)/C=C/C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NOC(=C2)C |
Product Overview
(E)-ethyl 4-((4-(N-(5-methylisoxazol-3-yl)sulfamoyl)phenyl)amino)-4-oxobut-2-enoate (CAS 356561-56-3), with molecular formula C16H17N3O6S and molecular weight 379.08 g/mol. IUPAC: ethyl (E)-4-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-4-oxobut-2-enoate.
Chemical Property Profile of (E)-ethyl 4-((4-(N-(5-methylisoxazol-3-yl)sulfamoyl)phenyl)amino)-4-oxobut-2-enoate
Property Insights of (E)-ethyl 4-((4-(N-(5-methylisoxazol-3-yl)sulfamoyl)phenyl)amino)-4-oxobut-2-enoate
The XLogP value of 1.84162 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-ethyl 4-((4-(N-(5-methylisoxazol-3-yl)sulfamoyl)phenyl)amino)-4-oxobut-2-enoate. The TPSA of 127.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 4-((4-(N-(5-methylisoxazol-3-yl)sulfamoyl)phenyl)amino)-4-oxobut-2-enoate. Following Lipinski's Rule of Five, (E)-ethyl 4-((4-(N-(5-methylisoxazol-3-yl)sulfamoyl)phenyl)amino)-4-oxobut-2-enoate has 2 hydrogen bond donor(s) and 7 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 (E)-ethyl 4-((4-(N-(5-methylisoxazol-3-yl)sulfamoyl)phenyl)amino)-4-oxobut-2-enoate?
The CAS number of (E)-ethyl 4-((4-(N-(5-methylisoxazol-3-yl)sulfamoyl)phenyl)amino)-4-oxobut-2-enoate is 356561-56-3.
What is the molecular formula of (E)-ethyl 4-((4-(N-(5-methylisoxazol-3-yl)sulfamoyl)phenyl)amino)-4-oxobut-2-enoate?
The molecular formula of (E)-ethyl 4-((4-(N-(5-methylisoxazol-3-yl)sulfamoyl)phenyl)amino)-4-oxobut-2-enoate is C16H17N3O6S.
What is the molecular weight of (E)-ethyl 4-((4-(N-(5-methylisoxazol-3-yl)sulfamoyl)phenyl)amino)-4-oxobut-2-enoate?
The molecular weight of (E)-ethyl 4-((4-(N-(5-methylisoxazol-3-yl)sulfamoyl)phenyl)amino)-4-oxobut-2-enoate is 379.08 g/mol.
Where can I buy (E)-ethyl 4-((4-(N-(5-methylisoxazol-3-yl)sulfamoyl)phenyl)amino)-4-oxobut-2-enoate?
You can request a quote for (E)-ethyl 4-((4-(N-(5-methylisoxazol-3-yl)sulfamoyl)phenyl)amino)-4-oxobut-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-ethyl 4-((4-(N-(5-methylisoxazol-3-yl)sulfamoyl)phenyl)amino)-4-oxobut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 4-((4-(N-(5-methylisoxazol-3-yl)sulfamoyl)phenyl)amino)-4-oxobut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.