2,6-diamino-4-(4-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile
TL;DR: 2,6-diamino-4-(4-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile (CAS 102423-74-5) is a chemical compound with molecular formula C14H12N4OS and molecular weight 284.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-diamino-4-(4-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile
Also Known As: 2,6-diamino-4-(4-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile, A0259/0011728, 4H-Thiopyran-3,5-dicarbonitrile, 2,6-diamino-4-(4-methoxyphenyl)-, 2,6-diamino-4-(4-methoxyphenyl)-4H-thiin-3,5-dicarbonitrile, 2,6-diamino-4-p-methoxyphenyl-4H-thiopyran-3,5-dicarbonitrile
| Molecular Formula | C14H12N4OS |
|---|---|
| Molecular Weight | 284.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.07318 |
| Heavy Atoms | 20 |
| Complexity | 516.0 |
Chemical Identifiers
| CAS Number | 102423-74-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2C(=C(SC(=C2C#N)N)N)C#N |
| InChIKey | QJOUOBNQMLXGNN-UHFFFAOYSA-N |
Product Overview
2,6-diamino-4-(4-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile (CAS 102423-74-5), with molecular formula C14H12N4OS and molecular weight 284.07 g/mol. IUPAC: 2,6-diamino-4-(4-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile.
Chemical Property Profile of 2,6-diamino-4-(4-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile
Property Insights of 2,6-diamino-4-(4-methoxyphenyl)-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-(4-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-diamino-4-(4-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile. Following Lipinski's Rule of Five, 2,6-diamino-4-(4-methoxyphenyl)-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-(4-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile?
The CAS number of 2,6-diamino-4-(4-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile is 102423-74-5.
What is the molecular formula of 2,6-diamino-4-(4-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile?
The molecular formula of 2,6-diamino-4-(4-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile is C14H12N4OS.
What is the molecular weight of 2,6-diamino-4-(4-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile?
The molecular weight of 2,6-diamino-4-(4-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile is 284.07 g/mol.
Where can I buy 2,6-diamino-4-(4-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile?
You can request a quote for 2,6-diamino-4-(4-methoxyphenyl)-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-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,6-diamino-4-(4-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.