![2-[(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanylmethyl]benzonitrile structure](/static/products/879/879620-89-0.png)
2-[(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanylmethyl]benzonitrile
TL;DR: 2-[(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanylmethyl]benzonitrile (CAS 879620-89-0) is a chemical compound with molecular formula C19H22N6O2S and molecular weight 398.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanylmethyl]benzonitrile
Also Known As: 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanylmethyl]benzonitrile, 2-({[4,6-di(morpholin-4-yl)-1,3,5-triazin-2-yl]sulfanyl}methyl)benzonitrile
| Molecular Formula | C19H22N6O2S |
|---|---|
| Molecular Weight | 398.15 g/mol |
| LogP | 1.70878 |
| Topological Polar Surface Area | 87.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.1525 |
| Heavy Atoms | 28 |
| Complexity | 810.30774 |
Chemical Identifiers
| CAS Number | 879620-89-0 |
|---|---|
| SMILES | C1COCCN1C2=NC(=NC(=N2)SCC3=CC=CC=C3C#N)N4CCOCC4 |
Product Overview
2-[(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanylmethyl]benzonitrile (CAS 879620-89-0), with molecular formula C19H22N6O2S and molecular weight 398.15 g/mol. IUPAC: 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanylmethyl]benzonitrile.
Chemical Property Profile of 2-[(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanylmethyl]benzonitrile
Property Insights of 2-[(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanylmethyl]benzonitrile
The XLogP value of 1.70878 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanylmethyl]benzonitrile. The TPSA of 87.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanylmethyl]benzonitrile. Following Lipinski's Rule of Five, 2-[(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanylmethyl]benzonitrile has 0 hydrogen bond donor(s) and 9 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-[(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanylmethyl]benzonitrile?
The CAS number of 2-[(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanylmethyl]benzonitrile is 879620-89-0.
What is the molecular formula of 2-[(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanylmethyl]benzonitrile?
The molecular formula of 2-[(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanylmethyl]benzonitrile is C19H22N6O2S.
What is the molecular weight of 2-[(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanylmethyl]benzonitrile?
The molecular weight of 2-[(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanylmethyl]benzonitrile is 398.15 g/mol.
Where can I buy 2-[(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanylmethyl]benzonitrile?
You can request a quote for 2-[(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanylmethyl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanylmethyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanylmethyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.