![[(1-Cyanocyclohexyl)carbamoyl]methyl 2-[(3,4-dimethylphenyl)sulfanyl]acetate structure](/static/products/100/1002451-40-2.png)
[(1-Cyanocyclohexyl)carbamoyl]methyl 2-[(3,4-dimethylphenyl)sulfanyl]acetate
TL;DR: [(1-Cyanocyclohexyl)carbamoyl]methyl 2-[(3,4-dimethylphenyl)sulfanyl]acetate (CAS 1002451-40-2) is a chemical compound with molecular formula C19H24N2O3S and molecular weight 360.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylacetate
Also Known As: [(1-cyanocyclohexyl)carbamoyl]methyl 2-[(3,4-dimethylphenyl)sulfanyl]acetate|[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylacetate|EN300-26685662
| Molecular Formula | C19H24N2O3S |
|---|---|
| Molecular Weight | 360.15 g/mol |
| LogP | 3.28142 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 360.15076 |
| Heavy Atoms | 25 |
| Complexity | 675.73706 |
Chemical Identifiers
| CAS Number | 1002451-40-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)SCC(=O)OCC(=O)NC2(CCCCC2)C#N)C |
Product Overview
[(1-Cyanocyclohexyl)carbamoyl]methyl 2-[(3,4-dimethylphenyl)sulfanyl]acetate (CAS 1002451-40-2), with molecular formula C19H24N2O3S and molecular weight 360.15 g/mol. IUPAC: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylacetate.
Chemical Property Profile of [(1-Cyanocyclohexyl)carbamoyl]methyl 2-[(3,4-dimethylphenyl)sulfanyl]acetate
Property Insights of [(1-Cyanocyclohexyl)carbamoyl]methyl 2-[(3,4-dimethylphenyl)sulfanyl]acetate
The XLogP value of 3.28142 indicates that [(1-Cyanocyclohexyl)carbamoyl]methyl 2-[(3,4-dimethylphenyl)sulfanyl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1-Cyanocyclohexyl)carbamoyl]methyl 2-[(3,4-dimethylphenyl)sulfanyl]acetate. Following Lipinski's Rule of Five, [(1-Cyanocyclohexyl)carbamoyl]methyl 2-[(3,4-dimethylphenyl)sulfanyl]acetate has 1 hydrogen bond donor(s) and 5 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 [(1-Cyanocyclohexyl)carbamoyl]methyl 2-[(3,4-dimethylphenyl)sulfanyl]acetate?
The CAS number of [(1-Cyanocyclohexyl)carbamoyl]methyl 2-[(3,4-dimethylphenyl)sulfanyl]acetate is 1002451-40-2.
What is the molecular formula of [(1-Cyanocyclohexyl)carbamoyl]methyl 2-[(3,4-dimethylphenyl)sulfanyl]acetate?
The molecular formula of [(1-Cyanocyclohexyl)carbamoyl]methyl 2-[(3,4-dimethylphenyl)sulfanyl]acetate is C19H24N2O3S.
What is the molecular weight of [(1-Cyanocyclohexyl)carbamoyl]methyl 2-[(3,4-dimethylphenyl)sulfanyl]acetate?
The molecular weight of [(1-Cyanocyclohexyl)carbamoyl]methyl 2-[(3,4-dimethylphenyl)sulfanyl]acetate is 360.15 g/mol.
Where can I buy [(1-Cyanocyclohexyl)carbamoyl]methyl 2-[(3,4-dimethylphenyl)sulfanyl]acetate?
You can request a quote for [(1-Cyanocyclohexyl)carbamoyl]methyl 2-[(3,4-dimethylphenyl)sulfanyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(1-Cyanocyclohexyl)carbamoyl]methyl 2-[(3,4-dimethylphenyl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for [(1-Cyanocyclohexyl)carbamoyl]methyl 2-[(3,4-dimethylphenyl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.