![methyl 2-({(Z)-2-cyano-3-[(ethoxycarbonyl)amino]-3-oxo-1-propenyl}amino)-3-thiophenecarboxylate structure](/static/products/3387/338750-49-5.webp)
methyl 2-({(Z)-2-cyano-3-[(ethoxycarbonyl)amino]-3-oxo-1-propenyl}amino)-3-thiophenecarboxylate
TL;DR: methyl 2-({(Z)-2-cyano-3-[(ethoxycarbonyl)amino]-3-oxo-1-propenyl}amino)-3-thiophenecarboxylate (CAS 338750-49-5) is a chemical compound with molecular formula C13H13N3O5S and molecular weight 323.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-cyano-3-(ethoxycarbonylamino)-3-oxoprop-1-enyl]amino]thiophene-3-carboxylate
Also Known As: methyl 2-({(Z)-2-cyano-3-[(ethoxycarbonyl)amino]-3-oxo-1-propenyl}amino)-3-thiophenecarboxylate, Methyl 2-[[2-cyano-2-(ethoxycarbonylcarbamoyl)ethenyl]amino]thiophene-3-carboxylate, methyl 2-[[2-cyano-3-(ethoxycarbonylamino)-3-oxoprop-1-enyl]amino]thiophene-3-carboxylate
| Molecular Formula | C13H13N3O5S |
|---|---|
| Molecular Weight | 323.06 g/mol |
| LogP | 1.62678 |
| Topological Polar Surface Area | 117.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.0576 |
| Heavy Atoms | 22 |
| Complexity | 644.3459 |
Chemical Identifiers
| CAS Number | 338750-49-5 |
|---|---|
| SMILES | CCOC(=O)NC(=O)C(=CNC1=C(C=CS1)C(=O)OC)C#N |
Product Overview
methyl 2-({(Z)-2-cyano-3-[(ethoxycarbonyl)amino]-3-oxo-1-propenyl}amino)-3-thiophenecarboxylate (CAS 338750-49-5), with molecular formula C13H13N3O5S and molecular weight 323.06 g/mol. IUPAC: methyl 2-[[2-cyano-3-(ethoxycarbonylamino)-3-oxoprop-1-enyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of methyl 2-({(Z)-2-cyano-3-[(ethoxycarbonyl)amino]-3-oxo-1-propenyl}amino)-3-thiophenecarboxylate
Property Insights of methyl 2-({(Z)-2-cyano-3-[(ethoxycarbonyl)amino]-3-oxo-1-propenyl}amino)-3-thiophenecarboxylate
The XLogP value of 1.62678 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-({(Z)-2-cyano-3-[(ethoxycarbonyl)amino]-3-oxo-1-propenyl}amino)-3-thiophenecarboxylate. The TPSA of 117.52 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-({(Z)-2-cyano-3-[(ethoxycarbonyl)amino]-3-oxo-1-propenyl}amino)-3-thiophenecarboxylate. Following Lipinski's Rule of Five, methyl 2-({(Z)-2-cyano-3-[(ethoxycarbonyl)amino]-3-oxo-1-propenyl}amino)-3-thiophenecarboxylate has 2 hydrogen bond donor(s) and 8 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 2-({(Z)-2-cyano-3-[(ethoxycarbonyl)amino]-3-oxo-1-propenyl}amino)-3-thiophenecarboxylate?
The CAS number of methyl 2-({(Z)-2-cyano-3-[(ethoxycarbonyl)amino]-3-oxo-1-propenyl}amino)-3-thiophenecarboxylate is 338750-49-5.
What is the molecular formula of methyl 2-({(Z)-2-cyano-3-[(ethoxycarbonyl)amino]-3-oxo-1-propenyl}amino)-3-thiophenecarboxylate?
The molecular formula of methyl 2-({(Z)-2-cyano-3-[(ethoxycarbonyl)amino]-3-oxo-1-propenyl}amino)-3-thiophenecarboxylate is C13H13N3O5S.
What is the molecular weight of methyl 2-({(Z)-2-cyano-3-[(ethoxycarbonyl)amino]-3-oxo-1-propenyl}amino)-3-thiophenecarboxylate?
The molecular weight of methyl 2-({(Z)-2-cyano-3-[(ethoxycarbonyl)amino]-3-oxo-1-propenyl}amino)-3-thiophenecarboxylate is 323.06 g/mol.
Where can I buy methyl 2-({(Z)-2-cyano-3-[(ethoxycarbonyl)amino]-3-oxo-1-propenyl}amino)-3-thiophenecarboxylate?
You can request a quote for methyl 2-({(Z)-2-cyano-3-[(ethoxycarbonyl)amino]-3-oxo-1-propenyl}amino)-3-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-({(Z)-2-cyano-3-[(ethoxycarbonyl)amino]-3-oxo-1-propenyl}amino)-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-({(Z)-2-cyano-3-[(ethoxycarbonyl)amino]-3-oxo-1-propenyl}amino)-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.