N-(2-chlorophenyl)-2-pyrimidin-2-ylsulfanylacetamide
TL;DR: N-(2-chlorophenyl)-2-pyrimidin-2-ylsulfanylacetamide (CAS 354785-77-6) is a chemical compound with molecular formula C12H10ClN3OS and molecular weight 279.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chlorophenyl)-2-pyrimidin-2-ylsulfanylacetamide
Also Known As: BAS 02172987, N-(2-chlorophenyl)-2-pyrimidin-2-ylsulfanylacetamide, AO-081/13878005, N-(2-chlorophenyl)-2-(pyrimidin-2-ylsulfanyl)acetamide, N-(2-chlorophenyl)-2-pyrimidin-2-ylthioacetamide
| Molecular Formula | C12H10ClN3OS |
|---|---|
| Molecular Weight | 279.02 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 80.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.02332 |
| Heavy Atoms | 18 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 354785-77-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC(=O)CSC2=NC=CC=N2)Cl |
| InChIKey | DASBNEJYUBJKIQ-UHFFFAOYSA-N |
Product Overview
N-(2-chlorophenyl)-2-pyrimidin-2-ylsulfanylacetamide (CAS 354785-77-6), with molecular formula C12H10ClN3OS and molecular weight 279.02 g/mol. IUPAC: N-(2-chlorophenyl)-2-pyrimidin-2-ylsulfanylacetamide.
Chemical Property Profile of N-(2-chlorophenyl)-2-pyrimidin-2-ylsulfanylacetamide
Property Insights of N-(2-chlorophenyl)-2-pyrimidin-2-ylsulfanylacetamide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-chlorophenyl)-2-pyrimidin-2-ylsulfanylacetamide. The TPSA of 80.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-chlorophenyl)-2-pyrimidin-2-ylsulfanylacetamide. Following Lipinski's Rule of Five, N-(2-chlorophenyl)-2-pyrimidin-2-ylsulfanylacetamide has 1 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 N-(2-chlorophenyl)-2-pyrimidin-2-ylsulfanylacetamide?
The CAS number of N-(2-chlorophenyl)-2-pyrimidin-2-ylsulfanylacetamide is 354785-77-6.
What is the molecular formula of N-(2-chlorophenyl)-2-pyrimidin-2-ylsulfanylacetamide?
The molecular formula of N-(2-chlorophenyl)-2-pyrimidin-2-ylsulfanylacetamide is C12H10ClN3OS.
What is the molecular weight of N-(2-chlorophenyl)-2-pyrimidin-2-ylsulfanylacetamide?
The molecular weight of N-(2-chlorophenyl)-2-pyrimidin-2-ylsulfanylacetamide is 279.02 g/mol.
Where can I buy N-(2-chlorophenyl)-2-pyrimidin-2-ylsulfanylacetamide?
You can request a quote for N-(2-chlorophenyl)-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-(2-chlorophenyl)-2-pyrimidin-2-ylsulfanylacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-chlorophenyl)-2-pyrimidin-2-ylsulfanylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.