C18H17ClN6
TL;DR: C18H17ClN6 (CAS 848732-80-9) is a chemical compound with molecular formula C18H17ClN6 and molecular weight 352.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(3-chlorophenyl)-4-cyclohexyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
Also Known As: 3-(3-chlorophenyl)-8-cyclohexyl-6-hydropyrazolo[5,4-d]1,2,4-triazolo[1,5-e]pyr imidine, 7-(3-chlorophenyl)-2-cyclohexyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
| Molecular Formula | C18H17ClN6 |
|---|---|
| Molecular Weight | 352.12 g/mol |
| LogP | 4.1643 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 352.12033 |
| Heavy Atoms | 25 |
| Complexity | 1059.9982 |
Chemical Identifiers
| CAS Number | 848732-80-9 |
|---|---|
| SMILES | C1CCC(CC1)C2=NN3C=NC4=C(C3=N2)C=NN4C5=CC(=CC=C5)Cl |
Product Overview
C18H17ClN6 (CAS 848732-80-9), with molecular formula C18H17ClN6 and molecular weight 352.12 g/mol. IUPAC: 10-(3-chlorophenyl)-4-cyclohexyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
Chemical Property Profile of C18H17ClN6
Property Insights of C18H17ClN6
The XLogP value of 4.1643 indicates that C18H17ClN6 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 C18H17ClN6. Following Lipinski's Rule of Five, C18H17ClN6 has 0 hydrogen bond donor(s) and 4 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 C18H17ClN6?
The CAS number of C18H17ClN6 is 848732-80-9.
What is the molecular formula of C18H17ClN6?
The molecular formula of C18H17ClN6 is C18H17ClN6.
What is the molecular weight of C18H17ClN6?
The molecular weight of C18H17ClN6 is 352.12 g/mol.
Where can I buy C18H17ClN6?
You can request a quote for C18H17ClN6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H17ClN6?
Yes, KEHONG BIO provides custom synthesis services for C18H17ClN6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.