6-(2,3,5-Trichlorophenyl)-1,2,4-triazine-3,5-diamine
TL;DR: 6-(2,3,5-Trichlorophenyl)-1,2,4-triazine-3,5-diamine (CAS 77668-56-5) is a chemical compound with molecular formula C9H6Cl3N5 and molecular weight 288.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2,3,5-trichlorophenyl)-1,2,4-triazine-3,5-diamine
Also Known As: 5-Chloro Lamotrigine, 6-(2,3,5-trichlorophenyl)-1,2,4-triazine-3,5-diamine, 2,3,5-Trichloro Lamotrigine, 1,2,4-Triazine-3,5-diamine, 6-(2,3,5-trichlorophenyl)-, J2.284.663I
| Molecular Formula | C9H6Cl3N5 |
|---|---|
| Molecular Weight | 288.97 g/mol |
| LogP | 2.6632 |
| Topological Polar Surface Area | 90.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 288.96887 |
| Heavy Atoms | 17 |
| Complexity | 587.0843 |
Chemical Identifiers
| CAS Number | 77668-56-5 |
|---|---|
| SMILES | C1=C(C=C(C(=C1C2=C(N=C(N=N2)N)N)Cl)Cl)Cl |
Product Overview
6-(2,3,5-Trichlorophenyl)-1,2,4-triazine-3,5-diamine (CAS 77668-56-5), with molecular formula C9H6Cl3N5 and molecular weight 288.97 g/mol. IUPAC: 6-(2,3,5-trichlorophenyl)-1,2,4-triazine-3,5-diamine.
Chemical Property Profile of 6-(2,3,5-Trichlorophenyl)-1,2,4-triazine-3,5-diamine
Property Insights of 6-(2,3,5-Trichlorophenyl)-1,2,4-triazine-3,5-diamine
The XLogP value of 2.6632 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(2,3,5-Trichlorophenyl)-1,2,4-triazine-3,5-diamine. The TPSA of 90.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(2,3,5-Trichlorophenyl)-1,2,4-triazine-3,5-diamine. Following Lipinski's Rule of Five, 6-(2,3,5-Trichlorophenyl)-1,2,4-triazine-3,5-diamine has 2 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 6-(2,3,5-Trichlorophenyl)-1,2,4-triazine-3,5-diamine?
The CAS number of 6-(2,3,5-Trichlorophenyl)-1,2,4-triazine-3,5-diamine is 77668-56-5.
What is the molecular formula of 6-(2,3,5-Trichlorophenyl)-1,2,4-triazine-3,5-diamine?
The molecular formula of 6-(2,3,5-Trichlorophenyl)-1,2,4-triazine-3,5-diamine is C9H6Cl3N5.
What is the molecular weight of 6-(2,3,5-Trichlorophenyl)-1,2,4-triazine-3,5-diamine?
The molecular weight of 6-(2,3,5-Trichlorophenyl)-1,2,4-triazine-3,5-diamine is 288.97 g/mol.
Where can I buy 6-(2,3,5-Trichlorophenyl)-1,2,4-triazine-3,5-diamine?
You can request a quote for 6-(2,3,5-Trichlorophenyl)-1,2,4-triazine-3,5-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(2,3,5-Trichlorophenyl)-1,2,4-triazine-3,5-diamine?
Yes, KEHONG BIO provides custom synthesis services for 6-(2,3,5-Trichlorophenyl)-1,2,4-triazine-3,5-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.