2,6-diamino-4-(2-butoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile
TL;DR: 2,6-diamino-4-(2-butoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile (CAS 337496-64-7) is a chemical compound with molecular formula C17H18N4OS and molecular weight 326.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-diamino-4-(2-butoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile
Also Known As: BAS 01316999, 2,6-diamino-4-(2-butoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile, 2,6-Diamino-4-(2-butoxy-phenyl)-4H-thiopyran-3,5-dicarbonitrile, 2,6-diamino-4-(2-butoxyphenyl)-4H-thiin-3,5-dicarbonitrile
| Molecular Formula | C17H18N4OS |
|---|---|
| Molecular Weight | 326.12 g/mol |
| LogP | 3.08366 |
| Topological Polar Surface Area | 108.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 326.12012 |
| Heavy Atoms | 23 |
| Complexity | 703.6956 |
Chemical Identifiers
| CAS Number | 337496-64-7 |
|---|---|
| SMILES | CCCCOC1=CC=CC=C1C2C(=C(SC(=C2C#N)N)N)C#N |
Product Overview
2,6-diamino-4-(2-butoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile (CAS 337496-64-7), with molecular formula C17H18N4OS and molecular weight 326.12 g/mol. IUPAC: 2,6-diamino-4-(2-butoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile.
Chemical Property Profile of 2,6-diamino-4-(2-butoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile
Property Insights of 2,6-diamino-4-(2-butoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile
The XLogP value of 3.08366 indicates that 2,6-diamino-4-(2-butoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-diamino-4-(2-butoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile. Following Lipinski's Rule of Five, 2,6-diamino-4-(2-butoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile has 2 hydrogen bond donor(s) and 6 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-butoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile?
The CAS number of 2,6-diamino-4-(2-butoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile is 337496-64-7.
What is the molecular formula of 2,6-diamino-4-(2-butoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile?
The molecular formula of 2,6-diamino-4-(2-butoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile is C17H18N4OS.
What is the molecular weight of 2,6-diamino-4-(2-butoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile?
The molecular weight of 2,6-diamino-4-(2-butoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile is 326.12 g/mol.
Where can I buy 2,6-diamino-4-(2-butoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile?
You can request a quote for 2,6-diamino-4-(2-butoxyphenyl)-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-butoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,6-diamino-4-(2-butoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.