2-((4-Acetamidophenyl)thio)-N-(1-cyanocyclohexyl)acetamide
TL;DR: 2-((4-Acetamidophenyl)thio)-N-(1-cyanocyclohexyl)acetamide (CAS 853591-73-8) is a chemical compound with molecular formula C17H21N3O2S and molecular weight 331.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-acetamidophenyl)sulfanyl-N-(1-cyanocyclohexyl)acetamide
Also Known As: starbld0004640, 2-((4-Acetamidophenyl)thio)-N-(1-cyanocyclohexyl)acetamide, 2-(4-acetamidophenyl)sulfanyl-N-(1-cyanocyclohexyl)acetamide, N-(1-cyanocyclohexyl)-2-[(4-acetamidophenyl)sulfanyl]acetamide
| Molecular Formula | C17H21N3O2S |
|---|---|
| Molecular Weight | 331.14 g/mol |
| LogP | 3.07978 |
| Topological Polar Surface Area | 81.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.13544 |
| Heavy Atoms | 23 |
| Complexity | 601.25964 |
Chemical Identifiers
| CAS Number | 853591-73-8 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)SCC(=O)NC2(CCCCC2)C#N |
Product Overview
2-((4-Acetamidophenyl)thio)-N-(1-cyanocyclohexyl)acetamide (CAS 853591-73-8), with molecular formula C17H21N3O2S and molecular weight 331.14 g/mol. IUPAC: 2-(4-acetamidophenyl)sulfanyl-N-(1-cyanocyclohexyl)acetamide.
Chemical Property Profile of 2-((4-Acetamidophenyl)thio)-N-(1-cyanocyclohexyl)acetamide
Property Insights of 2-((4-Acetamidophenyl)thio)-N-(1-cyanocyclohexyl)acetamide
The XLogP value of 3.07978 indicates that 2-((4-Acetamidophenyl)thio)-N-(1-cyanocyclohexyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-Acetamidophenyl)thio)-N-(1-cyanocyclohexyl)acetamide. Following Lipinski's Rule of Five, 2-((4-Acetamidophenyl)thio)-N-(1-cyanocyclohexyl)acetamide has 2 hydrogen bond donor(s) and 4 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-Acetamidophenyl)thio)-N-(1-cyanocyclohexyl)acetamide?
The CAS number of 2-((4-Acetamidophenyl)thio)-N-(1-cyanocyclohexyl)acetamide is 853591-73-8.
What is the molecular formula of 2-((4-Acetamidophenyl)thio)-N-(1-cyanocyclohexyl)acetamide?
The molecular formula of 2-((4-Acetamidophenyl)thio)-N-(1-cyanocyclohexyl)acetamide is C17H21N3O2S.
What is the molecular weight of 2-((4-Acetamidophenyl)thio)-N-(1-cyanocyclohexyl)acetamide?
The molecular weight of 2-((4-Acetamidophenyl)thio)-N-(1-cyanocyclohexyl)acetamide is 331.14 g/mol.
Where can I buy 2-((4-Acetamidophenyl)thio)-N-(1-cyanocyclohexyl)acetamide?
You can request a quote for 2-((4-Acetamidophenyl)thio)-N-(1-cyanocyclohexyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-Acetamidophenyl)thio)-N-(1-cyanocyclohexyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Acetamidophenyl)thio)-N-(1-cyanocyclohexyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.