6-(1H-1,3-benzodiazol-2-ylsulfanyl)-5-nitropyrimidin-4-amine
TL;DR: 6-(1H-1,3-benzodiazol-2-ylsulfanyl)-5-nitropyrimidin-4-amine (CAS 450346-40-4) is a chemical compound with molecular formula C11H8N6O2S and molecular weight 288.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1H-benzimidazol-2-ylsulfanyl)-5-nitropyrimidin-4-amine
Also Known As: 6-(1H-1,3-benzodiazol-2-ylsulfanyl)-5-nitropyrimidin-4-amine, AB00684418-01, 6-(1H-benzimidazol-2-ylsulfanyl)-5-nitropyrimidin-4-amine, 6-((1H-benzo[d]imidazol-2-yl)thio)-5-nitropyrimidin-4-amine, F0543-0346
| Molecular Formula | C11H8N6O2S |
|---|---|
| Molecular Weight | 288.04 g/mol |
| LogP | 1.9945 |
| Topological Polar Surface Area | 123.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.04294 |
| Heavy Atoms | 20 |
| Complexity | 769.4626 |
Chemical Identifiers
| CAS Number | 450346-40-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)SC3=NC=NC(=C3[N+](=O)[O-])N |
Product Overview
6-(1H-1,3-benzodiazol-2-ylsulfanyl)-5-nitropyrimidin-4-amine (CAS 450346-40-4), with molecular formula C11H8N6O2S and molecular weight 288.04 g/mol. IUPAC: 6-(1H-benzimidazol-2-ylsulfanyl)-5-nitropyrimidin-4-amine.
Chemical Property Profile of 6-(1H-1,3-benzodiazol-2-ylsulfanyl)-5-nitropyrimidin-4-amine
Property Insights of 6-(1H-1,3-benzodiazol-2-ylsulfanyl)-5-nitropyrimidin-4-amine
The XLogP value of 1.9945 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(1H-1,3-benzodiazol-2-ylsulfanyl)-5-nitropyrimidin-4-amine. The TPSA of 123.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(1H-1,3-benzodiazol-2-ylsulfanyl)-5-nitropyrimidin-4-amine. Following Lipinski's Rule of Five, 6-(1H-1,3-benzodiazol-2-ylsulfanyl)-5-nitropyrimidin-4-amine 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 6-(1H-1,3-benzodiazol-2-ylsulfanyl)-5-nitropyrimidin-4-amine?
The CAS number of 6-(1H-1,3-benzodiazol-2-ylsulfanyl)-5-nitropyrimidin-4-amine is 450346-40-4.
What is the molecular formula of 6-(1H-1,3-benzodiazol-2-ylsulfanyl)-5-nitropyrimidin-4-amine?
The molecular formula of 6-(1H-1,3-benzodiazol-2-ylsulfanyl)-5-nitropyrimidin-4-amine is C11H8N6O2S.
What is the molecular weight of 6-(1H-1,3-benzodiazol-2-ylsulfanyl)-5-nitropyrimidin-4-amine?
The molecular weight of 6-(1H-1,3-benzodiazol-2-ylsulfanyl)-5-nitropyrimidin-4-amine is 288.04 g/mol.
Where can I buy 6-(1H-1,3-benzodiazol-2-ylsulfanyl)-5-nitropyrimidin-4-amine?
You can request a quote for 6-(1H-1,3-benzodiazol-2-ylsulfanyl)-5-nitropyrimidin-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(1H-1,3-benzodiazol-2-ylsulfanyl)-5-nitropyrimidin-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 6-(1H-1,3-benzodiazol-2-ylsulfanyl)-5-nitropyrimidin-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.