![[4-(4-Chloro-phenylamino)-6-diethylamino-[1,3,5]triazin-2-yloxy]-acetonitrile structure](/static/products/331/331837-39-9.png)
[4-(4-Chloro-phenylamino)-6-diethylamino-[1,3,5]triazin-2-yloxy]-acetonitrile
TL;DR: [4-(4-Chloro-phenylamino)-6-diethylamino-[1,3,5]triazin-2-yloxy]-acetonitrile (CAS 331837-39-9) is a chemical compound with molecular formula C15H17ClN6O and molecular weight 332.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-chloroanilino)-6-(diethylamino)-1,3,5-triazin-2-yl]oxy]acetonitrile
Also Known As: BAS 00608972, AE-848/37031285, [4-(4-Chloro-phenylamino)-6-diethylamino-[1,3,5]triazin-2-yloxy]-acetonitrile, ({4-[(4-chlorophenyl)amino]-6-(diethylamino)-1,3,5-triazin-2-yl}oxy)acetonitrile, {[4-(4-chloroanilino)-6-(diethylamino)-1,3,5-triazin-2-yl]oxy}acetonitrile
| Molecular Formula | C15H17ClN6O |
|---|---|
| Molecular Weight | 332.12 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 332.11523 |
| Heavy Atoms | 23 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 331837-39-9 |
|---|---|
| SMILES | CCN(CC)C1=NC(=NC(=N1)NC2=CC=C(C=C2)Cl)OCC#N |
| InChIKey | VOAUQLPXJRAWTL-UHFFFAOYSA-N |
Product Overview
[4-(4-Chloro-phenylamino)-6-diethylamino-[1,3,5]triazin-2-yloxy]-acetonitrile (CAS 331837-39-9), with molecular formula C15H17ClN6O and molecular weight 332.12 g/mol. IUPAC: 2-[[4-(4-chloroanilino)-6-(diethylamino)-1,3,5-triazin-2-yl]oxy]acetonitrile.
Chemical Property Profile of [4-(4-Chloro-phenylamino)-6-diethylamino-[1,3,5]triazin-2-yloxy]-acetonitrile
Property Insights of [4-(4-Chloro-phenylamino)-6-diethylamino-[1,3,5]triazin-2-yloxy]-acetonitrile
The XLogP value of 3.8 indicates that [4-(4-Chloro-phenylamino)-6-diethylamino-[1,3,5]triazin-2-yloxy]-acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-(4-Chloro-phenylamino)-6-diethylamino-[1,3,5]triazin-2-yloxy]-acetonitrile. Following Lipinski's Rule of Five, [4-(4-Chloro-phenylamino)-6-diethylamino-[1,3,5]triazin-2-yloxy]-acetonitrile has 1 hydrogen bond donor(s) and 7 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-Chloro-phenylamino)-6-diethylamino-[1,3,5]triazin-2-yloxy]-acetonitrile?
The CAS number of [4-(4-Chloro-phenylamino)-6-diethylamino-[1,3,5]triazin-2-yloxy]-acetonitrile is 331837-39-9.
What is the molecular formula of [4-(4-Chloro-phenylamino)-6-diethylamino-[1,3,5]triazin-2-yloxy]-acetonitrile?
The molecular formula of [4-(4-Chloro-phenylamino)-6-diethylamino-[1,3,5]triazin-2-yloxy]-acetonitrile is C15H17ClN6O.
What is the molecular weight of [4-(4-Chloro-phenylamino)-6-diethylamino-[1,3,5]triazin-2-yloxy]-acetonitrile?
The molecular weight of [4-(4-Chloro-phenylamino)-6-diethylamino-[1,3,5]triazin-2-yloxy]-acetonitrile is 332.12 g/mol.
Where can I buy [4-(4-Chloro-phenylamino)-6-diethylamino-[1,3,5]triazin-2-yloxy]-acetonitrile?
You can request a quote for [4-(4-Chloro-phenylamino)-6-diethylamino-[1,3,5]triazin-2-yloxy]-acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-(4-Chloro-phenylamino)-6-diethylamino-[1,3,5]triazin-2-yloxy]-acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for [4-(4-Chloro-phenylamino)-6-diethylamino-[1,3,5]triazin-2-yloxy]-acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.