ChemDiv1_010707
TL;DR: ChemDiv1_010707 (CAS 339156-77-3) is a chemical compound with molecular formula C15H12F3N5OS2 and molecular weight 399.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: ChemDiv1_010707, 2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide, 2-{[2-amino-5-cyano-6-(methylthio)pyrimidin-4-yl]thio}-N-[3-(trifluoromethyl)phenyl]acetamide, A0184/0008195, 2-{[2-amino-5-cyano-6-(methylsulfanyl)-4-pyrimidinyl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C15H12F3N5OS2 |
|---|---|
| Molecular Weight | 399.04 g/mol |
| LogP | 3.40198 |
| Topological Polar Surface Area | 104.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.04355 |
| Heavy Atoms | 26 |
| Complexity | 867.33594 |
Chemical Identifiers
| CAS Number | 339156-77-3 |
|---|---|
| SMILES | CSC1=C(C(=NC(=N1)N)SCC(=O)NC2=CC=CC(=C2)C(F)(F)F)C#N |
Product Overview
ChemDiv1_010707 (CAS 339156-77-3), with molecular formula C15H12F3N5OS2 and molecular weight 399.04 g/mol. IUPAC: 2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of ChemDiv1_010707
Property Insights of ChemDiv1_010707
The XLogP value of 3.40198 indicates that ChemDiv1_010707 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.69 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010707. Following Lipinski's Rule of Five, ChemDiv1_010707 has 2 hydrogen bond donor(s) and 7 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 ChemDiv1_010707?
The CAS number of ChemDiv1_010707 is 339156-77-3.
What is the molecular formula of ChemDiv1_010707?
The molecular formula of ChemDiv1_010707 is C15H12F3N5OS2.
What is the molecular weight of ChemDiv1_010707?
The molecular weight of ChemDiv1_010707 is 399.04 g/mol.
Where can I buy ChemDiv1_010707?
You can request a quote for ChemDiv1_010707 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010707?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010707 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.