2,6-diamino-4-(3,5-dimethoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile
TL;DR: 2,6-diamino-4-(3,5-dimethoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile (CAS 340808-56-2) is a chemical compound with molecular formula C15H14N4O2S and molecular weight 314.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-diamino-4-(3,5-dimethoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile
Also Known As: BAS 07415849, 2,6-diamino-4-(3,5-dimethoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile, 2,6-diamino-4-(3,5-dimethoxyphenyl)-4H-thiin-3,5-dicarbonitrile, 2,6-Diamino-4-(3,5-dimethoxy-phenyl)-4H-thiopyran-3,5-dicarbonitrile
| Molecular Formula | C15H14N4O2S |
|---|---|
| Molecular Weight | 314.08 g/mol |
| LogP | 1.92196 |
| Topological Polar Surface Area | 118.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.08374 |
| Heavy Atoms | 22 |
| Complexity | 697.53644 |
Chemical Identifiers
| CAS Number | 340808-56-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1)C2C(=C(SC(=C2C#N)N)N)C#N)OC |
Product Overview
2,6-diamino-4-(3,5-dimethoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile (CAS 340808-56-2), with molecular formula C15H14N4O2S and molecular weight 314.08 g/mol. IUPAC: 2,6-diamino-4-(3,5-dimethoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile.
Chemical Property Profile of 2,6-diamino-4-(3,5-dimethoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile
Property Insights of 2,6-diamino-4-(3,5-dimethoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile
The XLogP value of 1.92196 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-diamino-4-(3,5-dimethoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile. The TPSA of 118.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-diamino-4-(3,5-dimethoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile. Following Lipinski's Rule of Five, 2,6-diamino-4-(3,5-dimethoxyphenyl)-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-(3,5-dimethoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile?
The CAS number of 2,6-diamino-4-(3,5-dimethoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile is 340808-56-2.
What is the molecular formula of 2,6-diamino-4-(3,5-dimethoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile?
The molecular formula of 2,6-diamino-4-(3,5-dimethoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile is C15H14N4O2S.
What is the molecular weight of 2,6-diamino-4-(3,5-dimethoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile?
The molecular weight of 2,6-diamino-4-(3,5-dimethoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile is 314.08 g/mol.
Where can I buy 2,6-diamino-4-(3,5-dimethoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile?
You can request a quote for 2,6-diamino-4-(3,5-dimethoxyphenyl)-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-(3,5-dimethoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,6-diamino-4-(3,5-dimethoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.