![N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide structure](/static/products/896/896541-91-6.png)
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
TL;DR: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide (CAS 896541-91-6) is a chemical compound with molecular formula C17H18N4OS2 and molecular weight 358.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
Also Known As: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide, N-(10-cyano-8-thiabicyclo[5.3.0]deca-9,11-dien-9-yl)-2-(4-methylpyrimidin-2-yl)sulfanyl-acetamide, N-(3-cyano(4,5,6,7,8-pentahydrocyclohepta[1,2-d]thiophen-2-yl))-2-(4-methylpyr imidin-2-ylthio)acetamide, N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[(4-methylpyrimidin-2-yl)sulfanyl]acetamide, N-{3-CYANO-4H5H6H7H8H-CYCLOHEPTA[B]THIOPHEN-2-YL}-2-[(4-METHYLPYRIMIDIN-2-YL)SULFANYL]ACETAMIDE
| Molecular Formula | C17H18N4OS2 |
|---|---|
| Molecular Weight | 358.09 g/mol |
| LogP | 3.7179 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.0922 |
| Heavy Atoms | 24 |
| Complexity | 794.3736 |
Chemical Identifiers
| CAS Number | 896541-91-6 |
|---|---|
| SMILES | CC1=NC(=NC=C1)SCC(=O)NC2=C(C3=C(S2)CCCCC3)C#N |
Product Overview
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide (CAS 896541-91-6), with molecular formula C17H18N4OS2 and molecular weight 358.09 g/mol. IUPAC: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide.
Chemical Property Profile of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
Property Insights of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
The XLogP value of 3.7179 indicates that N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide. Following Lipinski's Rule of Five, N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide has 1 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-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide?
The CAS number of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide is 896541-91-6.
What is the molecular formula of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide?
The molecular formula of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide is C17H18N4OS2.
What is the molecular weight of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide?
The molecular weight of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide is 358.09 g/mol.
Where can I buy N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide?
You can request a quote for N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-methylpyrimidin-2-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-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.