C18H9Cl3N6
TL;DR: C18H9Cl3N6 (CAS 845986-13-2) is a chemical compound with molecular formula C18H9Cl3N6 and molecular weight 414.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
Also Known As: 7-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
| Molecular Formula | C18H9Cl3N6 |
|---|---|
| Molecular Weight | 414.00 g/mol |
| LogP | 5.0904 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 413.99542 |
| Heavy Atoms | 27 |
| Complexity | 1306.4419 |
Chemical Identifiers
| CAS Number | 845986-13-2 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C3=C(C=N2)C4=NN=C(N4C=N3)C5=C(C=C(C=C5)Cl)Cl)Cl |
Product Overview
C18H9Cl3N6 (CAS 845986-13-2), with molecular formula C18H9Cl3N6 and molecular weight 414.00 g/mol. IUPAC: 10-(4-chlorophenyl)-5-(2,4-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 C18H9Cl3N6
Property Insights of C18H9Cl3N6
The XLogP value of 5.0904 indicates that C18H9Cl3N6 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 C18H9Cl3N6. Following Lipinski's Rule of Five, C18H9Cl3N6 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 C18H9Cl3N6?
The CAS number of C18H9Cl3N6 is 845986-13-2.
What is the molecular formula of C18H9Cl3N6?
The molecular formula of C18H9Cl3N6 is C18H9Cl3N6.
What is the molecular weight of C18H9Cl3N6?
The molecular weight of C18H9Cl3N6 is 414.00 g/mol.
Where can I buy C18H9Cl3N6?
You can request a quote for C18H9Cl3N6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H9Cl3N6?
Yes, KEHONG BIO provides custom synthesis services for C18H9Cl3N6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.