5-Cyano-6-cyclohexylcarbamoylmethylsulfanyl-4-furan-2-yl-2-methyl-1,4-dihydro-pyridine-3-carboxylic acid benzothiazol-2-ylamide
TL;DR: 5-Cyano-6-cyclohexylcarbamoylmethylsulfanyl-4-furan-2-yl-2-methyl-1,4-dihydro-pyridine-3-carboxylic acid benzothiazol-2-ylamide (CAS 578722-59-5) is a chemical compound with molecular formula C27H27N5O3S2 and molecular weight 533.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-yl)-5-cyano-6-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide
Also Known As: 5-Cyano-6-cyclohexylcarbamoylmethylsulfanyl-4-furan-2-yl-2-methyl-1,4-dihydro-pyridine-3-carboxylic acid benzothiazol-2-ylamide, N-(1,3-benzothiazol-2-yl)-5-cyano-6-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide, N-(1,3-benzothiazol-2-yl)-5-cyano-6-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide, N-(benzo[d]thiazol-2-yl)-5-cyano-6-((2-(cyclohexylamino)-2-oxoethyl)thio)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide, N-[(2E)-1,3-benzothiazol-2(3H)-ylidene]-5-cyano-6-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide
| Molecular Formula | C27H27N5O3S2 |
|---|---|
| Molecular Weight | 533.16 g/mol |
| LogP | 5.40608 |
| Topological Polar Surface Area | 120.05 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 533.1555 |
| Heavy Atoms | 37 |
| Complexity | 1378.1666 |
Chemical Identifiers
| CAS Number | 578722-59-5 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)NC2CCCCC2)C#N)C3=CC=CO3)C(=O)NC4=NC5=CC=CC=C5S4 |
Product Overview
5-Cyano-6-cyclohexylcarbamoylmethylsulfanyl-4-furan-2-yl-2-methyl-1,4-dihydro-pyridine-3-carboxylic acid benzothiazol-2-ylamide (CAS 578722-59-5), with molecular formula C27H27N5O3S2 and molecular weight 533.16 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)-5-cyano-6-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxamide.
Chemical Property Profile of 5-Cyano-6-cyclohexylcarbamoylmethylsulfanyl-4-furan-2-yl-2-methyl-1,4-dihydro-pyridine-3-carboxylic acid benzothiazol-2-ylamide
Property Insights of 5-Cyano-6-cyclohexylcarbamoylmethylsulfanyl-4-furan-2-yl-2-methyl-1,4-dihydro-pyridine-3-carboxylic acid benzothiazol-2-ylamide
The XLogP value of 5.40608 indicates that 5-Cyano-6-cyclohexylcarbamoylmethylsulfanyl-4-furan-2-yl-2-methyl-1,4-dihydro-pyridine-3-carboxylic acid benzothiazol-2-ylamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Cyano-6-cyclohexylcarbamoylmethylsulfanyl-4-furan-2-yl-2-methyl-1,4-dihydro-pyridine-3-carboxylic acid benzothiazol-2-ylamide. Following Lipinski's Rule of Five, 5-Cyano-6-cyclohexylcarbamoylmethylsulfanyl-4-furan-2-yl-2-methyl-1,4-dihydro-pyridine-3-carboxylic acid benzothiazol-2-ylamide has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Cyano-6-cyclohexylcarbamoylmethylsulfanyl-4-furan-2-yl-2-methyl-1,4-dihydro-pyridine-3-carboxylic acid benzothiazol-2-ylamide?
The CAS number of 5-Cyano-6-cyclohexylcarbamoylmethylsulfanyl-4-furan-2-yl-2-methyl-1,4-dihydro-pyridine-3-carboxylic acid benzothiazol-2-ylamide is 578722-59-5.
What is the molecular formula of 5-Cyano-6-cyclohexylcarbamoylmethylsulfanyl-4-furan-2-yl-2-methyl-1,4-dihydro-pyridine-3-carboxylic acid benzothiazol-2-ylamide?
The molecular formula of 5-Cyano-6-cyclohexylcarbamoylmethylsulfanyl-4-furan-2-yl-2-methyl-1,4-dihydro-pyridine-3-carboxylic acid benzothiazol-2-ylamide is C27H27N5O3S2.
What is the molecular weight of 5-Cyano-6-cyclohexylcarbamoylmethylsulfanyl-4-furan-2-yl-2-methyl-1,4-dihydro-pyridine-3-carboxylic acid benzothiazol-2-ylamide?
The molecular weight of 5-Cyano-6-cyclohexylcarbamoylmethylsulfanyl-4-furan-2-yl-2-methyl-1,4-dihydro-pyridine-3-carboxylic acid benzothiazol-2-ylamide is 533.16 g/mol.
Where can I buy 5-Cyano-6-cyclohexylcarbamoylmethylsulfanyl-4-furan-2-yl-2-methyl-1,4-dihydro-pyridine-3-carboxylic acid benzothiazol-2-ylamide?
You can request a quote for 5-Cyano-6-cyclohexylcarbamoylmethylsulfanyl-4-furan-2-yl-2-methyl-1,4-dihydro-pyridine-3-carboxylic acid benzothiazol-2-ylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Cyano-6-cyclohexylcarbamoylmethylsulfanyl-4-furan-2-yl-2-methyl-1,4-dihydro-pyridine-3-carboxylic acid benzothiazol-2-ylamide?
Yes, KEHONG BIO provides custom synthesis services for 5-Cyano-6-cyclohexylcarbamoylmethylsulfanyl-4-furan-2-yl-2-methyl-1,4-dihydro-pyridine-3-carboxylic acid benzothiazol-2-ylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.