2,6-diamino-4-(2-nitrophenyl)-4H-thiopyran-3,5-dicarbonitrile
TL;DR: 2,6-diamino-4-(2-nitrophenyl)-4H-thiopyran-3,5-dicarbonitrile (CAS 333759-71-0) is a chemical compound with molecular formula C13H9N5O2S and molecular weight 299.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-diamino-4-(2-nitrophenyl)-4H-thiopyran-3,5-dicarbonitrile
Also Known As: 2,6-diamino-4-(2-nitrophenyl)-4H-thiopyran-3,5-dicarbonitrile, BAS 00918382, 2,6-Diamino-4-(2-nitro-phenyl)-4H-thiopyran-3,5-dicarbonitrile, RefChem:248127
| Molecular Formula | C13H9N5O2S |
|---|---|
| Molecular Weight | 299.05 g/mol |
| LogP | 1.81296 |
| Topological Polar Surface Area | 142.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.0477 |
| Heavy Atoms | 21 |
| Complexity | 733.50165 |
Chemical Identifiers
| CAS Number | 333759-71-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2C(=C(SC(=C2C#N)N)N)C#N)[N+](=O)[O-] |
Product Overview
2,6-diamino-4-(2-nitrophenyl)-4H-thiopyran-3,5-dicarbonitrile (CAS 333759-71-0), with molecular formula C13H9N5O2S and molecular weight 299.05 g/mol. IUPAC: 2,6-diamino-4-(2-nitrophenyl)-4H-thiopyran-3,5-dicarbonitrile.
Chemical Property Profile of 2,6-diamino-4-(2-nitrophenyl)-4H-thiopyran-3,5-dicarbonitrile
Property Insights of 2,6-diamino-4-(2-nitrophenyl)-4H-thiopyran-3,5-dicarbonitrile
The XLogP value of 1.81296 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-diamino-4-(2-nitrophenyl)-4H-thiopyran-3,5-dicarbonitrile. The TPSA of 142.76 Ų indicates high polarity, suggesting 2,6-diamino-4-(2-nitrophenyl)-4H-thiopyran-3,5-dicarbonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,6-diamino-4-(2-nitrophenyl)-4H-thiopyran-3,5-dicarbonitrile 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 2,6-diamino-4-(2-nitrophenyl)-4H-thiopyran-3,5-dicarbonitrile?
The CAS number of 2,6-diamino-4-(2-nitrophenyl)-4H-thiopyran-3,5-dicarbonitrile is 333759-71-0.
What is the molecular formula of 2,6-diamino-4-(2-nitrophenyl)-4H-thiopyran-3,5-dicarbonitrile?
The molecular formula of 2,6-diamino-4-(2-nitrophenyl)-4H-thiopyran-3,5-dicarbonitrile is C13H9N5O2S.
What is the molecular weight of 2,6-diamino-4-(2-nitrophenyl)-4H-thiopyran-3,5-dicarbonitrile?
The molecular weight of 2,6-diamino-4-(2-nitrophenyl)-4H-thiopyran-3,5-dicarbonitrile is 299.05 g/mol.
Where can I buy 2,6-diamino-4-(2-nitrophenyl)-4H-thiopyran-3,5-dicarbonitrile?
You can request a quote for 2,6-diamino-4-(2-nitrophenyl)-4H-thiopyran-3,5-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-diamino-4-(2-nitrophenyl)-4H-thiopyran-3,5-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,6-diamino-4-(2-nitrophenyl)-4H-thiopyran-3,5-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.