C13H11ClN6
TL;DR: C13H11ClN6 (CAS 672886-84-9) is a chemical compound with molecular formula C13H11ClN6 and molecular weight 286.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-1-(2-chlorophenyl)ethylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
Also Known As: (E)-6-(2-(1-(2-chlorophenyl)ethylidene)hydrazinyl)-[1,2,4]triazolo[4,3-b]pyridazine, 6-{(2E)-2-[1-(2-chlorophenyl)ethylidene]hydrazinyl}[1,2,4]triazolo[4,3-b]pyridazine
| Molecular Formula | C13H11ClN6 |
|---|---|
| Molecular Weight | 286.07 g/mol |
| LogP | 2.6138 |
| Topological Polar Surface Area | 67.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.07336 |
| Heavy Atoms | 20 |
| Complexity | 779.13727 |
Chemical Identifiers
| CAS Number | 672886-84-9 |
|---|---|
| SMILES | C/C(=N\NC1=NN2C=NN=C2C=C1)/C3=CC=CC=C3Cl |
Product Overview
C13H11ClN6 (CAS 672886-84-9), with molecular formula C13H11ClN6 and molecular weight 286.07 g/mol. IUPAC: N-[(E)-1-(2-chlorophenyl)ethylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
Chemical Property Profile of C13H11ClN6
Property Insights of C13H11ClN6
The XLogP value of 2.6138 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C13H11ClN6. The TPSA of 67.47 Ų falls within the moderate polarity range, balancing permeability and solubility for C13H11ClN6. Following Lipinski's Rule of Five, C13H11ClN6 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 C13H11ClN6?
The CAS number of C13H11ClN6 is 672886-84-9.
What is the molecular formula of C13H11ClN6?
The molecular formula of C13H11ClN6 is C13H11ClN6.
What is the molecular weight of C13H11ClN6?
The molecular weight of C13H11ClN6 is 286.07 g/mol.
Where can I buy C13H11ClN6?
You can request a quote for C13H11ClN6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C13H11ClN6?
Yes, KEHONG BIO provides custom synthesis services for C13H11ClN6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.