6-(2-amino-2-oxoethyl)sulfanyl-N-(1,3-benzothiazol-2-yl)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide
TL;DR: 6-(2-amino-2-oxoethyl)sulfanyl-N-(1,3-benzothiazol-2-yl)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide (CAS 701227-20-5) is a chemical compound with molecular formula C21H17N5O3S2 and molecular weight 451.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-amino-2-oxoethyl)sulfanyl-N-(1,3-benzothiazol-2-yl)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Also Known As: 6-(2-amino-2-oxoethyl)sulfanyl-N-(1,3-benzothiazol-2-yl)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide, 6-((2-amino-2-oxoethyl)thio)-N-(benzo[d]thiazol-2-yl)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide, 6-[(2-amino-2-oxoethyl)sulfanyl]-N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide
| Molecular Formula | C21H17N5O3S2 |
|---|---|
| Molecular Weight | 451.08 g/mol |
| LogP | 3.44248 |
| Topological Polar Surface Area | 134.04 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 451.07727 |
| Heavy Atoms | 31 |
| Complexity | 1234.6658 |
Chemical Identifiers
| CAS Number | 701227-20-5 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)N)C#N)C2=CC=CO2)C(=O)NC3=NC4=CC=CC=C4S3 |
Product Overview
6-(2-amino-2-oxoethyl)sulfanyl-N-(1,3-benzothiazol-2-yl)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide (CAS 701227-20-5), with molecular formula C21H17N5O3S2 and molecular weight 451.08 g/mol. IUPAC: 6-(2-amino-2-oxoethyl)sulfanyl-N-(1,3-benzothiazol-2-yl)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide.
Chemical Property Profile of 6-(2-amino-2-oxoethyl)sulfanyl-N-(1,3-benzothiazol-2-yl)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Property Insights of 6-(2-amino-2-oxoethyl)sulfanyl-N-(1,3-benzothiazol-2-yl)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide
The XLogP value of 3.44248 indicates that 6-(2-amino-2-oxoethyl)sulfanyl-N-(1,3-benzothiazol-2-yl)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(2-amino-2-oxoethyl)sulfanyl-N-(1,3-benzothiazol-2-yl)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide. Following Lipinski's Rule of Five, 6-(2-amino-2-oxoethyl)sulfanyl-N-(1,3-benzothiazol-2-yl)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide has 3 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 6-(2-amino-2-oxoethyl)sulfanyl-N-(1,3-benzothiazol-2-yl)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide?
The CAS number of 6-(2-amino-2-oxoethyl)sulfanyl-N-(1,3-benzothiazol-2-yl)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide is 701227-20-5.
What is the molecular formula of 6-(2-amino-2-oxoethyl)sulfanyl-N-(1,3-benzothiazol-2-yl)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide?
The molecular formula of 6-(2-amino-2-oxoethyl)sulfanyl-N-(1,3-benzothiazol-2-yl)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide is C21H17N5O3S2.
What is the molecular weight of 6-(2-amino-2-oxoethyl)sulfanyl-N-(1,3-benzothiazol-2-yl)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide?
The molecular weight of 6-(2-amino-2-oxoethyl)sulfanyl-N-(1,3-benzothiazol-2-yl)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide is 451.08 g/mol.
Where can I buy 6-(2-amino-2-oxoethyl)sulfanyl-N-(1,3-benzothiazol-2-yl)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide?
You can request a quote for 6-(2-amino-2-oxoethyl)sulfanyl-N-(1,3-benzothiazol-2-yl)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(2-amino-2-oxoethyl)sulfanyl-N-(1,3-benzothiazol-2-yl)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 6-(2-amino-2-oxoethyl)sulfanyl-N-(1,3-benzothiazol-2-yl)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.