C18H8Cl4N6
TL;DR: C18H8Cl4N6 (CAS 847178-01-2) is a chemical compound with molecular formula C18H8Cl4N6 and molecular weight 447.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2,4-dichlorophenyl)-10-(3,4-dichlorophenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
Also Known As: 3-(2,4-dichlorophenyl)-7-(3,4-dichlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
| Molecular Formula | C18H8Cl4N6 |
|---|---|
| Molecular Weight | 447.96 g/mol |
| LogP | 5.7438 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 447.95645 |
| Heavy Atoms | 28 |
| Complexity | 1373.7952 |
Chemical Identifiers
| CAS Number | 847178-01-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1N2C3=C(C=N2)C4=NN=C(N4C=N3)C5=C(C=C(C=C5)Cl)Cl)Cl)Cl |
Product Overview
C18H8Cl4N6 (CAS 847178-01-2), with molecular formula C18H8Cl4N6 and molecular weight 447.96 g/mol. IUPAC: 5-(2,4-dichlorophenyl)-10-(3,4-dichlorophenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
Chemical Property Profile of C18H8Cl4N6
Property Insights of C18H8Cl4N6
The XLogP value of 5.7438 indicates that C18H8Cl4N6 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for C18H8Cl4N6. Following Lipinski's Rule of Five, C18H8Cl4N6 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C18H8Cl4N6?
The CAS number of C18H8Cl4N6 is 847178-01-2.
What is the molecular formula of C18H8Cl4N6?
The molecular formula of C18H8Cl4N6 is C18H8Cl4N6.
What is the molecular weight of C18H8Cl4N6?
The molecular weight of C18H8Cl4N6 is 447.96 g/mol.
Where can I buy C18H8Cl4N6?
You can request a quote for C18H8Cl4N6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H8Cl4N6?
Yes, KEHONG BIO provides custom synthesis services for C18H8Cl4N6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.