![4-(4,6-diamino-1,3,5-triazin-2-yl)-2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-2-phenylbutanenitrile structure](/static/products/1008/1008-72-6.webp)
4-(4,6-diamino-1,3,5-triazin-2-yl)-2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-2-phenylbutanenitrile
TL;DR: 4-(4,6-diamino-1,3,5-triazin-2-yl)-2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-2-phenylbutanenitrile (CAS 1008-72-6) is a chemical compound with molecular formula C18H21N11 and molecular weight 391.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4,6-diamino-1,3,5-triazin-2-yl)-2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-2-phenylbutanenitrile
Also Known As: 4-(4,6-diamino-1,3,5-triazin-2-yl)-2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-2-phenylbutanenitrile
| Molecular Formula | C18H21N11 |
|---|---|
| Molecular Weight | 391.20 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 205.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 391.19815 |
| Heavy Atoms | 29 |
| Complexity | 507.0 |
Chemical Identifiers
| CAS Number | 1008-72-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CCC2=NC(=NC(=N2)N)N)(CCC3=NC(=NC(=N3)N)N)C#N |
| InChIKey | GKZLDEWOBUROEP-UHFFFAOYSA-N |
Product Overview
4-(4,6-diamino-1,3,5-triazin-2-yl)-2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-2-phenylbutanenitrile (CAS 1008-72-6), with molecular formula C18H21N11 and molecular weight 391.20 g/mol. IUPAC: 4-(4,6-diamino-1,3,5-triazin-2-yl)-2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-2-phenylbutanenitrile.
Chemical Property Profile of 4-(4,6-diamino-1,3,5-triazin-2-yl)-2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-2-phenylbutanenitrile
Property Insights of 4-(4,6-diamino-1,3,5-triazin-2-yl)-2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-2-phenylbutanenitrile
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4,6-diamino-1,3,5-triazin-2-yl)-2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-2-phenylbutanenitrile. The TPSA of 205.0 Ų indicates high polarity, suggesting 4-(4,6-diamino-1,3,5-triazin-2-yl)-2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-2-phenylbutanenitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-(4,6-diamino-1,3,5-triazin-2-yl)-2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-2-phenylbutanenitrile has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(4,6-diamino-1,3,5-triazin-2-yl)-2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-2-phenylbutanenitrile?
The CAS number of 4-(4,6-diamino-1,3,5-triazin-2-yl)-2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-2-phenylbutanenitrile is 1008-72-6.
What is the molecular formula of 4-(4,6-diamino-1,3,5-triazin-2-yl)-2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-2-phenylbutanenitrile?
The molecular formula of 4-(4,6-diamino-1,3,5-triazin-2-yl)-2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-2-phenylbutanenitrile is C18H21N11.
What is the molecular weight of 4-(4,6-diamino-1,3,5-triazin-2-yl)-2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-2-phenylbutanenitrile?
The molecular weight of 4-(4,6-diamino-1,3,5-triazin-2-yl)-2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-2-phenylbutanenitrile is 391.20 g/mol.
Where can I buy 4-(4,6-diamino-1,3,5-triazin-2-yl)-2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-2-phenylbutanenitrile?
You can request a quote for 4-(4,6-diamino-1,3,5-triazin-2-yl)-2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-2-phenylbutanenitrile 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-1,3,5-triazin-2-yl)-2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-2-phenylbutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(4,6-diamino-1,3,5-triazin-2-yl)-2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-2-phenylbutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.