4-(Chloromethyl)-6-(piperidin-1-yl)-1,3,5-triazin-2(1H)-imine
TL;DR: 4-(Chloromethyl)-6-(piperidin-1-yl)-1,3,5-triazin-2(1H)-imine (CAS 90797-31-2) is a chemical compound with molecular formula C9H14ClN5 and molecular weight 227.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(chloromethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
Also Known As: 4-(chloromethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine, ChemDiv2_005230, 2-Amino-4-(chloromethyl)-6-piperidino-s-triazine, 4-(chloromethyl)-6-(piperidin-1-yl)-1,3,5-triazin-2-amine, ZERO/001454
| Molecular Formula | C9H14ClN5 |
|---|---|
| Molecular Weight | 227.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 67.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.09378 |
| Heavy Atoms | 15 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 90797-31-2 |
|---|---|
| SMILES | C1CCN(CC1)C2=NC(=NC(=N2)N)CCl |
| InChIKey | VLGDSUDZOVZMHX-UHFFFAOYSA-N |
Product Overview
4-(Chloromethyl)-6-(piperidin-1-yl)-1,3,5-triazin-2(1H)-imine (CAS 90797-31-2), with molecular formula C9H14ClN5 and molecular weight 227.09 g/mol. IUPAC: 4-(chloromethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine.
Chemical Property Profile of 4-(Chloromethyl)-6-(piperidin-1-yl)-1,3,5-triazin-2(1H)-imine
Property Insights of 4-(Chloromethyl)-6-(piperidin-1-yl)-1,3,5-triazin-2(1H)-imine
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Chloromethyl)-6-(piperidin-1-yl)-1,3,5-triazin-2(1H)-imine. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Chloromethyl)-6-(piperidin-1-yl)-1,3,5-triazin-2(1H)-imine. Following Lipinski's Rule of Five, 4-(Chloromethyl)-6-(piperidin-1-yl)-1,3,5-triazin-2(1H)-imine has 1 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-(Chloromethyl)-6-(piperidin-1-yl)-1,3,5-triazin-2(1H)-imine?
The CAS number of 4-(Chloromethyl)-6-(piperidin-1-yl)-1,3,5-triazin-2(1H)-imine is 90797-31-2.
What is the molecular formula of 4-(Chloromethyl)-6-(piperidin-1-yl)-1,3,5-triazin-2(1H)-imine?
The molecular formula of 4-(Chloromethyl)-6-(piperidin-1-yl)-1,3,5-triazin-2(1H)-imine is C9H14ClN5.
What is the molecular weight of 4-(Chloromethyl)-6-(piperidin-1-yl)-1,3,5-triazin-2(1H)-imine?
The molecular weight of 4-(Chloromethyl)-6-(piperidin-1-yl)-1,3,5-triazin-2(1H)-imine is 227.09 g/mol.
Where can I buy 4-(Chloromethyl)-6-(piperidin-1-yl)-1,3,5-triazin-2(1H)-imine?
You can request a quote for 4-(Chloromethyl)-6-(piperidin-1-yl)-1,3,5-triazin-2(1H)-imine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Chloromethyl)-6-(piperidin-1-yl)-1,3,5-triazin-2(1H)-imine?
Yes, KEHONG BIO provides custom synthesis services for 4-(Chloromethyl)-6-(piperidin-1-yl)-1,3,5-triazin-2(1H)-imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.