![2-[(5,6-Diaminopyrimidin-4-yl)sulfanyl]-5-nitrobenzonitrile structure](/static/products/363/363618-27-3.png)
2-[(5,6-Diaminopyrimidin-4-yl)sulfanyl]-5-nitrobenzonitrile
TL;DR: 2-[(5,6-Diaminopyrimidin-4-yl)sulfanyl]-5-nitrobenzonitrile (CAS 363618-27-3) 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.
2-(5,6-diaminopyrimidin-4-yl)sulfanyl-5-nitrobenzonitrile
Also Known As: 2-[(5,6-diaminopyrimidin-4-yl)sulfanyl]-5-nitrobenzonitrile, AH-262/02642011, 2-(5,6-diaminopyrimidin-4-yl)sulfanyl-5-nitrobenzonitrile
| Molecular Formula | C11H8N6O2S |
|---|---|
| Molecular Weight | 288.04 g/mol |
| LogP | 1.57208 |
| Topological Polar Surface Area | 144.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.04294 |
| Heavy Atoms | 20 |
| Complexity | 727.3387 |
Chemical Identifiers
| CAS Number | 363618-27-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])C#N)SC2=NC=NC(=C2N)N |
Product Overview
2-[(5,6-Diaminopyrimidin-4-yl)sulfanyl]-5-nitrobenzonitrile (CAS 363618-27-3), with molecular formula C11H8N6O2S and molecular weight 288.04 g/mol. IUPAC: 2-(5,6-diaminopyrimidin-4-yl)sulfanyl-5-nitrobenzonitrile.
Chemical Property Profile of 2-[(5,6-Diaminopyrimidin-4-yl)sulfanyl]-5-nitrobenzonitrile
Property Insights of 2-[(5,6-Diaminopyrimidin-4-yl)sulfanyl]-5-nitrobenzonitrile
The XLogP value of 1.57208 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(5,6-Diaminopyrimidin-4-yl)sulfanyl]-5-nitrobenzonitrile. The TPSA of 144.75 Ų indicates high polarity, suggesting 2-[(5,6-Diaminopyrimidin-4-yl)sulfanyl]-5-nitrobenzonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[(5,6-Diaminopyrimidin-4-yl)sulfanyl]-5-nitrobenzonitrile has 2 hydrogen bond donor(s) and 8 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 2-[(5,6-Diaminopyrimidin-4-yl)sulfanyl]-5-nitrobenzonitrile?
The CAS number of 2-[(5,6-Diaminopyrimidin-4-yl)sulfanyl]-5-nitrobenzonitrile is 363618-27-3.
What is the molecular formula of 2-[(5,6-Diaminopyrimidin-4-yl)sulfanyl]-5-nitrobenzonitrile?
The molecular formula of 2-[(5,6-Diaminopyrimidin-4-yl)sulfanyl]-5-nitrobenzonitrile is C11H8N6O2S.
What is the molecular weight of 2-[(5,6-Diaminopyrimidin-4-yl)sulfanyl]-5-nitrobenzonitrile?
The molecular weight of 2-[(5,6-Diaminopyrimidin-4-yl)sulfanyl]-5-nitrobenzonitrile is 288.04 g/mol.
Where can I buy 2-[(5,6-Diaminopyrimidin-4-yl)sulfanyl]-5-nitrobenzonitrile?
You can request a quote for 2-[(5,6-Diaminopyrimidin-4-yl)sulfanyl]-5-nitrobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(5,6-Diaminopyrimidin-4-yl)sulfanyl]-5-nitrobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5,6-Diaminopyrimidin-4-yl)sulfanyl]-5-nitrobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.