RefChem:316717
TL;DR: RefChem:316717 (CAS 70551-94-9) is a chemical compound with molecular formula C11H8Cl5N5O and molecular weight 400.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-[(2,2,2-trichloroacetyl)amino]azanium chloride
Also Known As: 3-(Trichloroacetylhydrazino)-5-(4-chlorophenyl)-1,2,4-triazine, hydrochloride, Acetic acid, trichloro-, 2-(5-(4-chlorophenyl)-3-as-triazinyl)hydrazide, hydrochloride, Trichloroacetic acid, 2-(5-(4-chlorophenyl)-3-as-triazinyl)hydrazide, hydrochloride, [5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-[(2,2,2-trichloroacetyl)amino]azanium chloride, Acetic acid, trichloro-, 2-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]hydrazide, monohydrochloride
| Molecular Formula | C11H8Cl5N5O |
|---|---|
| Molecular Weight | 400.92 g/mol |
| LogP | -1.21 |
| Topological Polar Surface Area | 84.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 402.91418 |
| Heavy Atoms | 22 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 70551-94-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CN=NC(=N2)[NH2+]NC(=O)C(Cl)(Cl)Cl)Cl.[Cl-] |
| InChIKey | WJZUGADEQOPAPO-UHFFFAOYSA-N |
Product Overview
RefChem:316717 (CAS 70551-94-9), with molecular formula C11H8Cl5N5O and molecular weight 400.92 g/mol. IUPAC: [5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-[(2,2,2-trichloroacetyl)amino]azanium chloride.
Chemical Property Profile of RefChem:316717
Property Insights of RefChem:316717
The XLogP value of -1.21 indicates that RefChem:316717 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 84.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:316717. Following Lipinski's Rule of Five, RefChem:316717 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 RefChem:316717?
The CAS number of RefChem:316717 is 70551-94-9.
What is the molecular formula of RefChem:316717?
The molecular formula of RefChem:316717 is C11H8Cl5N5O.
What is the molecular weight of RefChem:316717?
The molecular weight of RefChem:316717 is 400.92 g/mol.
Where can I buy RefChem:316717?
You can request a quote for RefChem:316717 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:316717?
Yes, KEHONG BIO provides custom synthesis services for RefChem:316717 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.