2,6-diamino-4-(4-ethylphenyl)-4H-thiopyran-3,5-dicarbonitrile
TL;DR: 2,6-diamino-4-(4-ethylphenyl)-4H-thiopyran-3,5-dicarbonitrile (CAS 331986-17-5) is a chemical compound with molecular formula C15H14N4S and molecular weight 282.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-diamino-4-(4-ethylphenyl)-4H-thiopyran-3,5-dicarbonitrile
Also Known As: IFLab1_001049, BAS 00749825, 2,6-diamino-4-(4-ethylphenyl)-4H-thiopyran-3,5-dicarbonitrile, AB00086819-01, BRD-K33680724-001-04-2
| Molecular Formula | C15H14N4S |
|---|---|
| Molecular Weight | 282.09 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.0939 |
| Heavy Atoms | 20 |
| Complexity | 511.0 |
Chemical Identifiers
| CAS Number | 331986-17-5 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C2C(=C(SC(=C2C#N)N)N)C#N |
| InChIKey | AUPGLSWGHJQOJG-UHFFFAOYSA-N |
Product Overview
2,6-diamino-4-(4-ethylphenyl)-4H-thiopyran-3,5-dicarbonitrile (CAS 331986-17-5), with molecular formula C15H14N4S and molecular weight 282.09 g/mol. IUPAC: 2,6-diamino-4-(4-ethylphenyl)-4H-thiopyran-3,5-dicarbonitrile.
Chemical Property Profile of 2,6-diamino-4-(4-ethylphenyl)-4H-thiopyran-3,5-dicarbonitrile
Property Insights of 2,6-diamino-4-(4-ethylphenyl)-4H-thiopyran-3,5-dicarbonitrile
The XLogP value of 3.0 indicates that 2,6-diamino-4-(4-ethylphenyl)-4H-thiopyran-3,5-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-diamino-4-(4-ethylphenyl)-4H-thiopyran-3,5-dicarbonitrile. Following Lipinski's Rule of Five, 2,6-diamino-4-(4-ethylphenyl)-4H-thiopyran-3,5-dicarbonitrile has 2 hydrogen bond donor(s) and 5 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-(4-ethylphenyl)-4H-thiopyran-3,5-dicarbonitrile?
The CAS number of 2,6-diamino-4-(4-ethylphenyl)-4H-thiopyran-3,5-dicarbonitrile is 331986-17-5.
What is the molecular formula of 2,6-diamino-4-(4-ethylphenyl)-4H-thiopyran-3,5-dicarbonitrile?
The molecular formula of 2,6-diamino-4-(4-ethylphenyl)-4H-thiopyran-3,5-dicarbonitrile is C15H14N4S.
What is the molecular weight of 2,6-diamino-4-(4-ethylphenyl)-4H-thiopyran-3,5-dicarbonitrile?
The molecular weight of 2,6-diamino-4-(4-ethylphenyl)-4H-thiopyran-3,5-dicarbonitrile is 282.09 g/mol.
Where can I buy 2,6-diamino-4-(4-ethylphenyl)-4H-thiopyran-3,5-dicarbonitrile?
You can request a quote for 2,6-diamino-4-(4-ethylphenyl)-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-(4-ethylphenyl)-4H-thiopyran-3,5-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,6-diamino-4-(4-ethylphenyl)-4H-thiopyran-3,5-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.