N-(3-Chloro-4-fluorophenyl)-2-(2-pyrimidinylsulfanyl)acetamide
TL;DR: N-(3-Chloro-4-fluorophenyl)-2-(2-pyrimidinylsulfanyl)acetamide (CAS 381676-63-7) is a chemical compound with molecular formula C12H9ClFN3OS and molecular weight 297.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-fluorophenyl)-2-pyrimidin-2-ylsulfanylacetamide
Also Known As: AB00114610-01, N-(3-Chloro-4-fluorophenyl)-2-(2-pyrimidinylsulfanyl)acetamide, N-(3-chloro-4-fluorophenyl)-2-(pyrimidin-2-ylsulfanyl)acetamide, A2313/0097570, Acetamide, N-(3-chloro-4-fluorophenyl)-2-(2-pyrimidylthio)-
| Molecular Formula | C12H9ClFN3OS |
|---|---|
| Molecular Weight | 297.01 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 80.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.0139 |
| Heavy Atoms | 19 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 381676-63-7 |
|---|---|
| SMILES | C1=CN=C(N=C1)SCC(=O)NC2=CC(=C(C=C2)F)Cl |
| InChIKey | VOUKQBVTFOAUNJ-UHFFFAOYSA-N |
Product Overview
N-(3-Chloro-4-fluorophenyl)-2-(2-pyrimidinylsulfanyl)acetamide (CAS 381676-63-7), with molecular formula C12H9ClFN3OS and molecular weight 297.01 g/mol. IUPAC: N-(3-chloro-4-fluorophenyl)-2-pyrimidin-2-ylsulfanylacetamide.
Chemical Property Profile of N-(3-Chloro-4-fluorophenyl)-2-(2-pyrimidinylsulfanyl)acetamide
Property Insights of N-(3-Chloro-4-fluorophenyl)-2-(2-pyrimidinylsulfanyl)acetamide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-Chloro-4-fluorophenyl)-2-(2-pyrimidinylsulfanyl)acetamide. The TPSA of 80.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-Chloro-4-fluorophenyl)-2-(2-pyrimidinylsulfanyl)acetamide. Following Lipinski's Rule of Five, N-(3-Chloro-4-fluorophenyl)-2-(2-pyrimidinylsulfanyl)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-(3-Chloro-4-fluorophenyl)-2-(2-pyrimidinylsulfanyl)acetamide?
The CAS number of N-(3-Chloro-4-fluorophenyl)-2-(2-pyrimidinylsulfanyl)acetamide is 381676-63-7.
What is the molecular formula of N-(3-Chloro-4-fluorophenyl)-2-(2-pyrimidinylsulfanyl)acetamide?
The molecular formula of N-(3-Chloro-4-fluorophenyl)-2-(2-pyrimidinylsulfanyl)acetamide is C12H9ClFN3OS.
What is the molecular weight of N-(3-Chloro-4-fluorophenyl)-2-(2-pyrimidinylsulfanyl)acetamide?
The molecular weight of N-(3-Chloro-4-fluorophenyl)-2-(2-pyrimidinylsulfanyl)acetamide is 297.01 g/mol.
Where can I buy N-(3-Chloro-4-fluorophenyl)-2-(2-pyrimidinylsulfanyl)acetamide?
You can request a quote for N-(3-Chloro-4-fluorophenyl)-2-(2-pyrimidinylsulfanyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-Chloro-4-fluorophenyl)-2-(2-pyrimidinylsulfanyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Chloro-4-fluorophenyl)-2-(2-pyrimidinylsulfanyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.