![[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate structure](/static/products/7442/744236-33-7.webp)
[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate
TL;DR: [(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate (CAS 744236-33-7) is a chemical compound with molecular formula C19H19N3O3S2 and molecular weight 401.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
Also Known As: [(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate|[2-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate|EN300-18054420
| Molecular Formula | C19H19N3O3S2 |
|---|---|
| Molecular Weight | 401.09 g/mol |
| LogP | 3.65698 |
| Topological Polar Surface Area | 92.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.0868 |
| Heavy Atoms | 27 |
| Complexity | 917.40906 |
Chemical Identifiers
| CAS Number | 744236-33-7 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C#N)NC(=O)COC(=O)C3=C(N=CC=C3)SC |
Product Overview
[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate (CAS 744236-33-7), with molecular formula C19H19N3O3S2 and molecular weight 401.09 g/mol. IUPAC: [2-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate.
Chemical Property Profile of [(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate
Property Insights of [(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate
The XLogP value of 3.65698 indicates that [(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.08 Ų falls within the moderate polarity range, balancing permeability and solubility for [(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate. Following Lipinski's Rule of Five, [(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate has 1 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 [(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate?
The CAS number of [(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate is 744236-33-7.
What is the molecular formula of [(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate?
The molecular formula of [(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate is C19H19N3O3S2.
What is the molecular weight of [(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate?
The molecular weight of [(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate is 401.09 g/mol.
Where can I buy [(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate?
You can request a quote for [(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.