C17H13ClN6
TL;DR: C17H13ClN6 (CAS 488121-69-3) is a chemical compound with molecular formula C17H13ClN6 and molecular weight 336.09 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[3,4-a]phthalazin-6-amine
Also Known As: (E)-6-(2-(1-(2-chlorophenyl)ethylidene)hydrazinyl)-[1,2,4]triazolo[3,4-a]phthalazine, (6Z)-6-{(2E)-[1-(2-chlorophenyl)ethylidene]hydrazinylidene}-5,6-dihydro[1,2,4]triazolo[3,4-a]phthalazine
| Molecular Formula | C17H13ClN6 |
|---|---|
| Molecular Weight | 336.09 g/mol |
| LogP | 3.767 |
| Topological Polar Surface Area | 67.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.08902 |
| Heavy Atoms | 24 |
| Complexity | 1069.0085 |
Chemical Identifiers
| CAS Number | 488121-69-3 |
|---|---|
| SMILES | C/C(=N\NC1=NN2C=NN=C2C3=CC=CC=C31)/C4=CC=CC=C4Cl |
Product Overview
C17H13ClN6 (CAS 488121-69-3), with molecular formula C17H13ClN6 and molecular weight 336.09 g/mol. IUPAC: N-[(E)-1-(2-chlorophenyl)ethylideneamino]-[1,2,4]triazolo[3,4-a]phthalazin-6-amine.
Chemical Property Profile of C17H13ClN6
Property Insights of C17H13ClN6
The XLogP value of 3.767 indicates that C17H13ClN6 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.47 Ų falls within the moderate polarity range, balancing permeability and solubility for C17H13ClN6. Following Lipinski's Rule of Five, C17H13ClN6 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 C17H13ClN6?
The CAS number of C17H13ClN6 is 488121-69-3.
What is the molecular formula of C17H13ClN6?
The molecular formula of C17H13ClN6 is C17H13ClN6.
What is the molecular weight of C17H13ClN6?
The molecular weight of C17H13ClN6 is 336.09 g/mol.
Where can I buy C17H13ClN6?
You can request a quote for C17H13ClN6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H13ClN6?
Yes, KEHONG BIO provides custom synthesis services for C17H13ClN6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.