2,6-Diamino-4-benzyl-4H-thiopyran-3,5-dicarbonitrile
TL;DR: 2,6-Diamino-4-benzyl-4H-thiopyran-3,5-dicarbonitrile (CAS 332175-07-2) is a chemical compound with molecular formula C14H12N4S and molecular weight 268.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-diamino-4-benzyl-4H-thiopyran-3,5-dicarbonitrile
Also Known As: IFLab1_000787, 2,6-Diamino-4-benzyl-4H-thiopyran-3,5-dicarbonitrile, BAS 01279641, 2,6-diamino-4-benzyl-4H-thiin-3,5-dicarbonitrile, 2,6-diamino-4-benzyl-4h-thiopyran-3,5-dicarbo-nitrile
| Molecular Formula | C14H12N4S |
|---|---|
| Molecular Weight | 268.08 g/mol |
| LogP | 1.97986 |
| Topological Polar Surface Area | 99.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.07828 |
| Heavy Atoms | 19 |
| Complexity | 595.6501 |
Chemical Identifiers
| CAS Number | 332175-07-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2C(=C(SC(=C2C#N)N)N)C#N |
Product Overview
2,6-Diamino-4-benzyl-4H-thiopyran-3,5-dicarbonitrile (CAS 332175-07-2), with molecular formula C14H12N4S and molecular weight 268.08 g/mol. IUPAC: 2,6-diamino-4-benzyl-4H-thiopyran-3,5-dicarbonitrile.
Chemical Property Profile of 2,6-Diamino-4-benzyl-4H-thiopyran-3,5-dicarbonitrile
Property Insights of 2,6-Diamino-4-benzyl-4H-thiopyran-3,5-dicarbonitrile
The XLogP value of 1.97986 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Diamino-4-benzyl-4H-thiopyran-3,5-dicarbonitrile. The TPSA of 99.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Diamino-4-benzyl-4H-thiopyran-3,5-dicarbonitrile. Following Lipinski's Rule of Five, 2,6-Diamino-4-benzyl-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-benzyl-4H-thiopyran-3,5-dicarbonitrile?
The CAS number of 2,6-Diamino-4-benzyl-4H-thiopyran-3,5-dicarbonitrile is 332175-07-2.
What is the molecular formula of 2,6-Diamino-4-benzyl-4H-thiopyran-3,5-dicarbonitrile?
The molecular formula of 2,6-Diamino-4-benzyl-4H-thiopyran-3,5-dicarbonitrile is C14H12N4S.
What is the molecular weight of 2,6-Diamino-4-benzyl-4H-thiopyran-3,5-dicarbonitrile?
The molecular weight of 2,6-Diamino-4-benzyl-4H-thiopyran-3,5-dicarbonitrile is 268.08 g/mol.
Where can I buy 2,6-Diamino-4-benzyl-4H-thiopyran-3,5-dicarbonitrile?
You can request a quote for 2,6-Diamino-4-benzyl-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-benzyl-4H-thiopyran-3,5-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Diamino-4-benzyl-4H-thiopyran-3,5-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.