2,6-Diamino-4-(2,4-dimethoxy-phenyl)-4H-thiopyran-3,5-dicarbonitrile
TL;DR: 2,6-Diamino-4-(2,4-dimethoxy-phenyl)-4H-thiopyran-3,5-dicarbonitrile (CAS 127118-62-1) is a chemical compound with molecular formula C15H14N4O2S and molecular weight 314.08374 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,6-diamino-4-(2,4-dimethoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile
Also Known As: BAS 01316998, BIM-0013239.P001, 2,6-Diamino-4-(2,4-dimethoxy-phenyl)-4H-thiopyran-3,5-dicarbonitrile, 2,6-diamino-4-(2,4-dimethoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile, AI-020/33342033
Technical Specifications
| Molecular Formula | C15H14N4O2S |
| Molecular Weight | 314.08374 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 143.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.08374 Da |
| Heavy Atoms | 22 |
| Complexity | 572.0 |
| SMILES | COC1=CC(=C(C=C1)C2C(=C(SC(=C2C#N)N)N)C#N)OC |
| InChIKey | BYHZJYNSCVQARU-UHFFFAOYSA-N |
Chemical Property Profile of 2,6-Diamino-4-(2,4-dimethoxy-phenyl)-4H-thiopyran-3,5-dicarbonitrile
Property Insights of 2,6-Diamino-4-(2,4-dimethoxy-phenyl)-4H-thiopyran-3,5-dicarbonitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Diamino-4-(2,4-dimethoxy-phenyl)-4H-thiopyran-3,5-dicarbonitrile. The TPSA of 143.0 Ų indicates high polarity, suggesting 2,6-Diamino-4-(2,4-dimethoxy-phenyl)-4H-thiopyran-3,5-dicarbonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,6-Diamino-4-(2,4-dimethoxy-phenyl)-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
What is the CAS number of 2,6-Diamino-4-(2,4-dimethoxy-phenyl)-4H-thiopyran-3,5-dicarbonitrile?
The CAS number of 2,6-Diamino-4-(2,4-dimethoxy-phenyl)-4H-thiopyran-3,5-dicarbonitrile is 127118-62-1.
What is the molecular formula of 2,6-Diamino-4-(2,4-dimethoxy-phenyl)-4H-thiopyran-3,5-dicarbonitrile?
The molecular formula of 2,6-Diamino-4-(2,4-dimethoxy-phenyl)-4H-thiopyran-3,5-dicarbonitrile is C15H14N4O2S.
What is the molecular weight of 2,6-Diamino-4-(2,4-dimethoxy-phenyl)-4H-thiopyran-3,5-dicarbonitrile?
The molecular weight of 2,6-Diamino-4-(2,4-dimethoxy-phenyl)-4H-thiopyran-3,5-dicarbonitrile is 314.08374 g/mol.
Where can I buy 2,6-Diamino-4-(2,4-dimethoxy-phenyl)-4H-thiopyran-3,5-dicarbonitrile?
You can request a quote for 2,6-Diamino-4-(2,4-dimethoxy-phenyl)-4H-thiopyran-3,5-dicarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,6-Diamino-4-(2,4-dimethoxy-phenyl)-4H-thiopyran-3,5-dicarbonitrile?
Yes, CoreyChem provides custom synthesis services for 2,6-Diamino-4-(2,4-dimethoxy-phenyl)-4H-thiopyran-3,5-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.