![3-[[4,6-Bis(trichloromethyl)-1,3,5-triazin-2-yl]-butan-2-ylamino]propanenitrile structure](/static/products/2486/24863-52-3.webp)
3-[[4,6-Bis(trichloromethyl)-1,3,5-triazin-2-yl]-butan-2-ylamino]propanenitrile
TL;DR: 3-[[4,6-Bis(trichloromethyl)-1,3,5-triazin-2-yl]-butan-2-ylamino]propanenitrile (CAS 24863-52-3) is a chemical compound with molecular formula C12H13Cl6N5 and molecular weight 436.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]-butan-2-ylamino]propanenitrile
Also Known As: J1.611.745E, 3-((4,6-BIS(TRICHLOROMETHYL)-S-TRIAZIN-2-YL)-*), 3-[[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]-butan-2-ylamino]propanenitrile, 3-{[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl](butan-2-yl)amino}propanenitrile, 3-[[4,6-Bis(trichloromethyl)-s-triazine-2-yl]sec-butylamino]propionitrile
| Molecular Formula | C12H13Cl6N5 |
|---|---|
| Molecular Weight | 436.93 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 65.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 438.92725 |
| Heavy Atoms | 23 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 24863-52-3 |
|---|---|
| SMILES | CCC(C)N(CCC#N)C1=NC(=NC(=N1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl |
| InChIKey | YTHAIHNPHPHRBX-UHFFFAOYSA-N |
Product Overview
3-[[4,6-Bis(trichloromethyl)-1,3,5-triazin-2-yl]-butan-2-ylamino]propanenitrile (CAS 24863-52-3), with molecular formula C12H13Cl6N5 and molecular weight 436.93 g/mol. IUPAC: 3-[[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]-butan-2-ylamino]propanenitrile.
Chemical Property Profile of 3-[[4,6-Bis(trichloromethyl)-1,3,5-triazin-2-yl]-butan-2-ylamino]propanenitrile
Property Insights of 3-[[4,6-Bis(trichloromethyl)-1,3,5-triazin-2-yl]-butan-2-ylamino]propanenitrile
The XLogP value of 4.8 indicates that 3-[[4,6-Bis(trichloromethyl)-1,3,5-triazin-2-yl]-butan-2-ylamino]propanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[[4,6-Bis(trichloromethyl)-1,3,5-triazin-2-yl]-butan-2-ylamino]propanenitrile. Following Lipinski's Rule of Five, 3-[[4,6-Bis(trichloromethyl)-1,3,5-triazin-2-yl]-butan-2-ylamino]propanenitrile has 0 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 3-[[4,6-Bis(trichloromethyl)-1,3,5-triazin-2-yl]-butan-2-ylamino]propanenitrile?
The CAS number of 3-[[4,6-Bis(trichloromethyl)-1,3,5-triazin-2-yl]-butan-2-ylamino]propanenitrile is 24863-52-3.
What is the molecular formula of 3-[[4,6-Bis(trichloromethyl)-1,3,5-triazin-2-yl]-butan-2-ylamino]propanenitrile?
The molecular formula of 3-[[4,6-Bis(trichloromethyl)-1,3,5-triazin-2-yl]-butan-2-ylamino]propanenitrile is C12H13Cl6N5.
What is the molecular weight of 3-[[4,6-Bis(trichloromethyl)-1,3,5-triazin-2-yl]-butan-2-ylamino]propanenitrile?
The molecular weight of 3-[[4,6-Bis(trichloromethyl)-1,3,5-triazin-2-yl]-butan-2-ylamino]propanenitrile is 436.93 g/mol.
Where can I buy 3-[[4,6-Bis(trichloromethyl)-1,3,5-triazin-2-yl]-butan-2-ylamino]propanenitrile?
You can request a quote for 3-[[4,6-Bis(trichloromethyl)-1,3,5-triazin-2-yl]-butan-2-ylamino]propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[[4,6-Bis(trichloromethyl)-1,3,5-triazin-2-yl]-butan-2-ylamino]propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[[4,6-Bis(trichloromethyl)-1,3,5-triazin-2-yl]-butan-2-ylamino]propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.