![3-(Chloromethyl)pyrimido[5,4-e][1,2,4]triazin-5-amine structure](/static/products/558/55838-66-9.png)
3-(Chloromethyl)pyrimido[5,4-e][1,2,4]triazin-5-amine
TL;DR: 3-(Chloromethyl)pyrimido[5,4-e][1,2,4]triazin-5-amine (CAS 55838-66-9) is a chemical compound with molecular formula C6H5ClN6 and molecular weight 196.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(chloromethyl)pyrimido[5,4-e][1,2,4]triazin-5-amine
Also Known As: N.N'-Dibenzyl-barbital, 3-(chloromethyl)pyrimido[5,4-e][1,2,4]triazin-5-amine, Pyrimido[5,4-e]-1,2,4-triazin-5-amine,3-(chloromethyl)-
| Molecular Formula | C6H5ClN6 |
|---|---|
| Molecular Weight | 196.03 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 90.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.02643 |
| Heavy Atoms | 13 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 55838-66-9 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N=NC(=N2)CCl)N |
| InChIKey | ZCXSBUMKSGCXBR-UHFFFAOYSA-N |
Product Overview
3-(Chloromethyl)pyrimido[5,4-e][1,2,4]triazin-5-amine (CAS 55838-66-9), with molecular formula C6H5ClN6 and molecular weight 196.03 g/mol. IUPAC: 3-(chloromethyl)pyrimido[5,4-e][1,2,4]triazin-5-amine.
Chemical Property Profile of 3-(Chloromethyl)pyrimido[5,4-e][1,2,4]triazin-5-amine
Property Insights of 3-(Chloromethyl)pyrimido[5,4-e][1,2,4]triazin-5-amine
The XLogP value of -0.7 indicates that 3-(Chloromethyl)pyrimido[5,4-e][1,2,4]triazin-5-amine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 90.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Chloromethyl)pyrimido[5,4-e][1,2,4]triazin-5-amine. Following Lipinski's Rule of Five, 3-(Chloromethyl)pyrimido[5,4-e][1,2,4]triazin-5-amine has 1 hydrogen bond donor(s) and 6 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-(Chloromethyl)pyrimido[5,4-e][1,2,4]triazin-5-amine?
The CAS number of 3-(Chloromethyl)pyrimido[5,4-e][1,2,4]triazin-5-amine is 55838-66-9.
What is the molecular formula of 3-(Chloromethyl)pyrimido[5,4-e][1,2,4]triazin-5-amine?
The molecular formula of 3-(Chloromethyl)pyrimido[5,4-e][1,2,4]triazin-5-amine is C6H5ClN6.
What is the molecular weight of 3-(Chloromethyl)pyrimido[5,4-e][1,2,4]triazin-5-amine?
The molecular weight of 3-(Chloromethyl)pyrimido[5,4-e][1,2,4]triazin-5-amine is 196.03 g/mol.
Where can I buy 3-(Chloromethyl)pyrimido[5,4-e][1,2,4]triazin-5-amine?
You can request a quote for 3-(Chloromethyl)pyrimido[5,4-e][1,2,4]triazin-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Chloromethyl)pyrimido[5,4-e][1,2,4]triazin-5-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-(Chloromethyl)pyrimido[5,4-e][1,2,4]triazin-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.