N-(2-Cyanophenyl)-2-(2-pyrimidinylthio)acetamide
TL;DR: N-(2-Cyanophenyl)-2-(2-pyrimidinylthio)acetamide (CAS 271772-58-8) is a chemical compound with molecular formula C13H10N4OS and molecular weight 270.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-cyanophenyl)-2-pyrimidin-2-ylsulfanylacetamide
Also Known As: N-(2-Cyanophenyl)-2-(2-pyrimidinylthio)acetamide, N-(2-cyanophenyl)-2-pyrimidin-2-ylsulfanylacetamide, N-(2-cyanophenyl)-2-(pyrimidin-2-ylsulfanyl)acetamide, N-(2-Cyanophenyl)-2-[(pyrimidin-2-yl)sulfanyl]acetamide
| Molecular Formula | C13H10N4OS |
|---|---|
| Molecular Weight | 270.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 270.05753 |
| Heavy Atoms | 19 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 271772-58-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#N)NC(=O)CSC2=NC=CC=N2 |
| InChIKey | VZGHNOLFVNWTCA-UHFFFAOYSA-N |
Product Overview
N-(2-Cyanophenyl)-2-(2-pyrimidinylthio)acetamide (CAS 271772-58-8), with molecular formula C13H10N4OS and molecular weight 270.06 g/mol. IUPAC: N-(2-cyanophenyl)-2-pyrimidin-2-ylsulfanylacetamide.
Chemical Property Profile of N-(2-Cyanophenyl)-2-(2-pyrimidinylthio)acetamide
Property Insights of N-(2-Cyanophenyl)-2-(2-pyrimidinylthio)acetamide
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Cyanophenyl)-2-(2-pyrimidinylthio)acetamide. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-Cyanophenyl)-2-(2-pyrimidinylthio)acetamide. Following Lipinski's Rule of Five, N-(2-Cyanophenyl)-2-(2-pyrimidinylthio)acetamide 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 N-(2-Cyanophenyl)-2-(2-pyrimidinylthio)acetamide?
The CAS number of N-(2-Cyanophenyl)-2-(2-pyrimidinylthio)acetamide is 271772-58-8.
What is the molecular formula of N-(2-Cyanophenyl)-2-(2-pyrimidinylthio)acetamide?
The molecular formula of N-(2-Cyanophenyl)-2-(2-pyrimidinylthio)acetamide is C13H10N4OS.
What is the molecular weight of N-(2-Cyanophenyl)-2-(2-pyrimidinylthio)acetamide?
The molecular weight of N-(2-Cyanophenyl)-2-(2-pyrimidinylthio)acetamide is 270.06 g/mol.
Where can I buy N-(2-Cyanophenyl)-2-(2-pyrimidinylthio)acetamide?
You can request a quote for N-(2-Cyanophenyl)-2-(2-pyrimidinylthio)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Cyanophenyl)-2-(2-pyrimidinylthio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Cyanophenyl)-2-(2-pyrimidinylthio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.