4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzonitrile;ethanesulfonic acid
TL;DR: 4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzonitrile;ethanesulfonic acid (CAS 4576-39-0) is a chemical compound with molecular formula C14H20N6O3S and molecular weight 352.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzonitrile;ethanesulfonic acid
Also Known As: 4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzonitrile,, 4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzonitrile; ethanesulfonic acid, 4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzonitrile;ethanesulfonic acid, Ethanesulfonic acid--4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)benzonitrile (1/1)
| Molecular Formula | C14H20N6O3S |
|---|---|
| Molecular Weight | 352.13 g/mol |
| LogP | 0.63788 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 352.13177 |
| Heavy Atoms | 24 |
| Complexity | 538.0 |
Chemical Identifiers
| CAS Number | 4576-39-0 |
|---|---|
| SMILES | CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=C(C=C2)C#N)N)N)C |
| InChIKey | VGALFRRJBGMYJI-UHFFFAOYSA-N |
Product Overview
4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzonitrile;ethanesulfonic acid (CAS 4576-39-0), with molecular formula C14H20N6O3S and molecular weight 352.13 g/mol. IUPAC: 4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzonitrile;ethanesulfonic acid.
Chemical Property Profile of 4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzonitrile;ethanesulfonic acid
Property Insights of 4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzonitrile;ethanesulfonic acid
The XLogP value of 0.63788 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzonitrile;ethanesulfonic acid. The TPSA of 167.0 Ų indicates high polarity, suggesting 4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzonitrile;ethanesulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzonitrile;ethanesulfonic acid has 3 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 4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzonitrile;ethanesulfonic acid?
The CAS number of 4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzonitrile;ethanesulfonic acid is 4576-39-0.
What is the molecular formula of 4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzonitrile;ethanesulfonic acid?
The molecular formula of 4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzonitrile;ethanesulfonic acid is C14H20N6O3S.
What is the molecular weight of 4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzonitrile;ethanesulfonic acid?
The molecular weight of 4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzonitrile;ethanesulfonic acid is 352.13 g/mol.
Where can I buy 4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzonitrile;ethanesulfonic acid?
You can request a quote for 4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzonitrile;ethanesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzonitrile;ethanesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzonitrile;ethanesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.