ChemDiv1_010705
TL;DR: ChemDiv1_010705 (CAS 339156-51-3) is a chemical compound with molecular formula C14H12N6O3S2 and molecular weight 376.04 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-(4-nitrophenyl)acetamide
Also Known As: ChemDiv1_010705, A0182/0008142, 2-{[2-amino-5-cyano-6-(methylsulfanyl)pyrimidin-4-yl]sulfanyl}-N-(4-nitrophenyl)acetamide, 2-((2-amino-5-cyano-6-(methylthio)pyrimidin-4-yl)thio)-N-(4-nitrophenyl)acetamide, 2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-(4-nitrophenyl)acetamide
| Molecular Formula | C14H12N6O3S2 |
|---|---|
| Molecular Weight | 376.04 g/mol |
| LogP | 2.29138 |
| Topological Polar Surface Area | 147.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 376.04123 |
| Heavy Atoms | 25 |
| Complexity | 850.881 |
Chemical Identifiers
| CAS Number | 339156-51-3 |
|---|---|
| SMILES | CSC1=C(C(=NC(=N1)N)SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C#N |
Product Overview
ChemDiv1_010705 (CAS 339156-51-3), with molecular formula C14H12N6O3S2 and molecular weight 376.04 g/mol. IUPAC: 2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-(4-nitrophenyl)acetamide.
Chemical Property Profile of ChemDiv1_010705
Property Insights of ChemDiv1_010705
The XLogP value of 2.29138 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_010705. The TPSA of 147.83 Ų indicates high polarity, suggesting ChemDiv1_010705 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv1_010705 has 2 hydrogen bond donor(s) and 9 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_010705?
The CAS number of ChemDiv1_010705 is 339156-51-3.
What is the molecular formula of ChemDiv1_010705?
The molecular formula of ChemDiv1_010705 is C14H12N6O3S2.
What is the molecular weight of ChemDiv1_010705?
The molecular weight of ChemDiv1_010705 is 376.04 g/mol.
Where can I buy ChemDiv1_010705?
You can request a quote for ChemDiv1_010705 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010705?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010705 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.