N-(1-cyanocyclohexyl)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
TL;DR: N-(1-cyanocyclohexyl)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CAS 876696-17-2) is a chemical compound with molecular formula C12H18N6OS and molecular weight 294.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-cyanocyclohexyl)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
Also Known As: N-(1-cyanocyclohexyl)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide, N-(1-cyanocyclohexyl)-N-methyl-2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamide
| Molecular Formula | C12H18N6OS |
|---|---|
| Molecular Weight | 294.13 g/mol |
| LogP | 0.98708 |
| Topological Polar Surface Area | 87.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.12628 |
| Heavy Atoms | 20 |
| Complexity | 516.2624 |
Chemical Identifiers
| CAS Number | 876696-17-2 |
|---|---|
| SMILES | CN1C(=NN=N1)SCC(=O)N(C)C2(CCCCC2)C#N |
Product Overview
N-(1-cyanocyclohexyl)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CAS 876696-17-2), with molecular formula C12H18N6OS and molecular weight 294.13 g/mol. IUPAC: N-(1-cyanocyclohexyl)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
Chemical Property Profile of N-(1-cyanocyclohexyl)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
Property Insights of N-(1-cyanocyclohexyl)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
The XLogP value of 0.98708 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-cyanocyclohexyl)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-cyanocyclohexyl)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide. Following Lipinski's Rule of Five, N-(1-cyanocyclohexyl)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide has 0 hydrogen bond donor(s) and 6 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 N-(1-cyanocyclohexyl)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The CAS number of N-(1-cyanocyclohexyl)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide is 876696-17-2.
What is the molecular formula of N-(1-cyanocyclohexyl)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The molecular formula of N-(1-cyanocyclohexyl)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide is C12H18N6OS.
What is the molecular weight of N-(1-cyanocyclohexyl)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The molecular weight of N-(1-cyanocyclohexyl)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide is 294.13 g/mol.
Where can I buy N-(1-cyanocyclohexyl)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
You can request a quote for N-(1-cyanocyclohexyl)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-cyanocyclohexyl)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-cyanocyclohexyl)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.