![N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-pyrimidin-2-ylsulfanylacetamide structure](/static/products/4431/443120-85-2.webp)
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-pyrimidin-2-ylsulfanylacetamide
TL;DR: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-pyrimidin-2-ylsulfanylacetamide (CAS 443120-85-2) is a chemical compound with molecular formula C16H16N4OS2 and molecular weight 344.08 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-pyrimidin-2-ylsulfanylacetamide
Also Known As: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-pyrimidin-2-ylsulfanylacetamide, N-(3-cyano(4,5,6,7,8-pentahydrocyclohepta[1,2-d]thiophen-2-yl))-2-pyrimidin-2- ylthioacetamide, N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(pyrimidin-2-ylsulfanyl)acetamide, N-{3-CYANO-4H5H6H7H8H-CYCLOHEPTA[B]THIOPHEN-2-YL}-2-(PYRIMIDIN-2-YLSULFANYL)ACETAMIDE
| Molecular Formula | C16H16N4OS2 |
|---|---|
| Molecular Weight | 344.08 g/mol |
| LogP | 3.40948 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.07657 |
| Heavy Atoms | 23 |
| Complexity | 736.52875 |
Chemical Identifiers
| CAS Number | 443120-85-2 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC(=C2C#N)NC(=O)CSC3=NC=CC=N3 |
Product Overview
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-pyrimidin-2-ylsulfanylacetamide (CAS 443120-85-2), with molecular formula C16H16N4OS2 and molecular weight 344.08 g/mol. IUPAC: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-pyrimidin-2-ylsulfanylacetamide.
Chemical Property Profile of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-pyrimidin-2-ylsulfanylacetamide
Property Insights of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-pyrimidin-2-ylsulfanylacetamide
The XLogP value of 3.40948 indicates that N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-pyrimidin-2-ylsulfanylacetamide 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-pyrimidin-2-ylsulfanylacetamide. Following Lipinski's Rule of Five, N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-pyrimidin-2-ylsulfanylacetamide 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-pyrimidin-2-ylsulfanylacetamide?
The CAS number of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-pyrimidin-2-ylsulfanylacetamide is 443120-85-2.
What is the molecular formula of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The molecular formula of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-pyrimidin-2-ylsulfanylacetamide is C16H16N4OS2.
What is the molecular weight of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The molecular weight of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-pyrimidin-2-ylsulfanylacetamide is 344.08 g/mol.
Where can I buy N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-pyrimidin-2-ylsulfanylacetamide?
You can request a quote for N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-pyrimidin-2-ylsulfanylacetamide 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-pyrimidin-2-ylsulfanylacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-pyrimidin-2-ylsulfanylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.