![2-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}amino)-2-oxoethyl cyclohexyl(methyl)carbamodithioate structure](/static/products/6761/676156-36-8.webp)
2-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}amino)-2-oxoethyl cyclohexyl(methyl)carbamodithioate
TL;DR: 2-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}amino)-2-oxoethyl cyclohexyl(methyl)carbamodithioate (CAS 676156-36-8) is a chemical compound with molecular formula C21H27N5O3S3 and molecular weight 493.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]anilino]-2-oxoethyl] N-cyclohexyl-N-methylcarbamodithioate
Also Known As: 2-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}amino)-2-oxoethyl cyclohexyl(methyl)carbamodithioate, [2-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]anilino]-2-oxoethyl] N-cyclohexyl-N-methylcarbamodithioate, 2-((4-(N-(4-methylpyrimidin-2-yl)sulfamoyl)phenyl)amino)-2-oxoethyl cyclohexyl(methyl)carbamodithioate, 2-[(cyclohexylmethylamino)thioxomethylthio]-N-(4-{[(4-methylpyrimidin-2-yl)ami no]sulfonyl}phenyl)acetamide, 2-{[CYCLOHEXYL(METHYL)CARBAMOTHIOYL]SULFANYL}-N-{4-[(4-METHYLPYRIMIDIN-2-YL)SULFAMOYL]PHENYL}ACETAMIDE
| Molecular Formula | C21H27N5O3S3 |
|---|---|
| Molecular Weight | 493.13 g/mol |
| LogP | 3.80692 |
| Topological Polar Surface Area | 104.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 493.1276 |
| Heavy Atoms | 32 |
| Complexity | 1054.6049 |
Chemical Identifiers
| CAS Number | 676156-36-8 |
|---|---|
| SMILES | CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC(=S)N(C)C3CCCCC3 |
Product Overview
2-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}amino)-2-oxoethyl cyclohexyl(methyl)carbamodithioate (CAS 676156-36-8), with molecular formula C21H27N5O3S3 and molecular weight 493.13 g/mol. IUPAC: [2-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]anilino]-2-oxoethyl] N-cyclohexyl-N-methylcarbamodithioate.
Chemical Property Profile of 2-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}amino)-2-oxoethyl cyclohexyl(methyl)carbamodithioate
Property Insights of 2-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}amino)-2-oxoethyl cyclohexyl(methyl)carbamodithioate
The XLogP value of 3.80692 indicates that 2-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}amino)-2-oxoethyl cyclohexyl(methyl)carbamodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}amino)-2-oxoethyl cyclohexyl(methyl)carbamodithioate. Following Lipinski's Rule of Five, 2-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}amino)-2-oxoethyl cyclohexyl(methyl)carbamodithioate has 2 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 2-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}amino)-2-oxoethyl cyclohexyl(methyl)carbamodithioate?
The CAS number of 2-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}amino)-2-oxoethyl cyclohexyl(methyl)carbamodithioate is 676156-36-8.
What is the molecular formula of 2-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}amino)-2-oxoethyl cyclohexyl(methyl)carbamodithioate?
The molecular formula of 2-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}amino)-2-oxoethyl cyclohexyl(methyl)carbamodithioate is C21H27N5O3S3.
What is the molecular weight of 2-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}amino)-2-oxoethyl cyclohexyl(methyl)carbamodithioate?
The molecular weight of 2-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}amino)-2-oxoethyl cyclohexyl(methyl)carbamodithioate is 493.13 g/mol.
Where can I buy 2-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}amino)-2-oxoethyl cyclohexyl(methyl)carbamodithioate?
You can request a quote for 2-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}amino)-2-oxoethyl cyclohexyl(methyl)carbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}amino)-2-oxoethyl cyclohexyl(methyl)carbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for 2-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}amino)-2-oxoethyl cyclohexyl(methyl)carbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.