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Methyl 2-[(3,3-dicyanopropanoyl)amino]-3-thiophenecarboxylate
TL;DR: Methyl 2-[(3,3-dicyanopropanoyl)amino]-3-thiophenecarboxylate (CAS 343374-92-5) is a chemical compound with molecular formula C11H9N3O3S and molecular weight 263.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3,3-dicyanopropanoylamino)thiophene-3-carboxylate
Also Known As: methyl 2-[(3,3-dicyanopropanoyl)amino]-3-thiophenecarboxylate, 6N-802, methyl 2-(3,3-dicyanopropanoylamino)thiophene-3-carboxylate, methyl 2-(3,3-dicyanopropanamido)thiophene-3-carboxylate
| Molecular Formula | C11H9N3O3S |
|---|---|
| Molecular Weight | 263.04 g/mol |
| LogP | 1.52666 |
| Topological Polar Surface Area | 102.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.03647 |
| Heavy Atoms | 18 |
| Complexity | 524.46375 |
Chemical Identifiers
| CAS Number | 343374-92-5 |
|---|---|
| SMILES | COC(=O)C1=C(SC=C1)NC(=O)CC(C#N)C#N |
Product Overview
Methyl 2-[(3,3-dicyanopropanoyl)amino]-3-thiophenecarboxylate (CAS 343374-92-5), with molecular formula C11H9N3O3S and molecular weight 263.04 g/mol. IUPAC: methyl 2-(3,3-dicyanopropanoylamino)thiophene-3-carboxylate.
Chemical Property Profile of Methyl 2-[(3,3-dicyanopropanoyl)amino]-3-thiophenecarboxylate
Property Insights of Methyl 2-[(3,3-dicyanopropanoyl)amino]-3-thiophenecarboxylate
The XLogP value of 1.52666 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[(3,3-dicyanopropanoyl)amino]-3-thiophenecarboxylate. The TPSA of 102.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[(3,3-dicyanopropanoyl)amino]-3-thiophenecarboxylate. Following Lipinski's Rule of Five, Methyl 2-[(3,3-dicyanopropanoyl)amino]-3-thiophenecarboxylate has 1 hydrogen bond donor(s) and 6 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-[(3,3-dicyanopropanoyl)amino]-3-thiophenecarboxylate?
The CAS number of Methyl 2-[(3,3-dicyanopropanoyl)amino]-3-thiophenecarboxylate is 343374-92-5.
What is the molecular formula of Methyl 2-[(3,3-dicyanopropanoyl)amino]-3-thiophenecarboxylate?
The molecular formula of Methyl 2-[(3,3-dicyanopropanoyl)amino]-3-thiophenecarboxylate is C11H9N3O3S.
What is the molecular weight of Methyl 2-[(3,3-dicyanopropanoyl)amino]-3-thiophenecarboxylate?
The molecular weight of Methyl 2-[(3,3-dicyanopropanoyl)amino]-3-thiophenecarboxylate is 263.04 g/mol.
Where can I buy Methyl 2-[(3,3-dicyanopropanoyl)amino]-3-thiophenecarboxylate?
You can request a quote for Methyl 2-[(3,3-dicyanopropanoyl)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-[(3,3-dicyanopropanoyl)amino]-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(3,3-dicyanopropanoyl)amino]-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.