![[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 3,6-dichloropyridine-2-carboxylate structure](/static/products/7214/721415-50-5.webp)
[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 3,6-dichloropyridine-2-carboxylate
TL;DR: [(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 3,6-dichloropyridine-2-carboxylate (CAS 721415-50-5) is a chemical compound with molecular formula C18H15Cl2N3O3S and molecular weight 423.02 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] 3,6-dichloropyridine-2-carboxylate
Also Known As: [(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 3,6-dichloropyridine-2-carboxylate|[2-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate|EN300-26620938
| Molecular Formula | C18H15Cl2N3O3S |
|---|---|
| Molecular Weight | 423.02 g/mol |
| LogP | 4.24188 |
| Topological Polar Surface Area | 92.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 423.02112 |
| Heavy Atoms | 27 |
| Complexity | 952.05896 |
Chemical Identifiers
| CAS Number | 721415-50-5 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C#N)NC(=O)COC(=O)C3=C(C=CC(=N3)Cl)Cl |
Product Overview
[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 3,6-dichloropyridine-2-carboxylate (CAS 721415-50-5), with molecular formula C18H15Cl2N3O3S and molecular weight 423.02 g/mol. IUPAC: [2-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate.
Chemical Property Profile of [(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 3,6-dichloropyridine-2-carboxylate
Property Insights of [(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 3,6-dichloropyridine-2-carboxylate
The XLogP value of 4.24188 indicates that [(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 3,6-dichloropyridine-2-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 3,6-dichloropyridine-2-carboxylate. Following Lipinski's Rule of Five, [(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 3,6-dichloropyridine-2-carboxylate 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 [(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 3,6-dichloropyridine-2-carboxylate?
The CAS number of [(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 3,6-dichloropyridine-2-carboxylate is 721415-50-5.
What is the molecular formula of [(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 3,6-dichloropyridine-2-carboxylate?
The molecular formula of [(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 3,6-dichloropyridine-2-carboxylate is C18H15Cl2N3O3S.
What is the molecular weight of [(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 3,6-dichloropyridine-2-carboxylate?
The molecular weight of [(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 3,6-dichloropyridine-2-carboxylate is 423.02 g/mol.
Where can I buy [(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 3,6-dichloropyridine-2-carboxylate?
You can request a quote for [(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 3,6-dichloropyridine-2-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 3,6-dichloropyridine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 3,6-dichloropyridine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.