![(11-chloro-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl)(8-methyloctahydroquinolin-1(2H)-yl)methanone structure](/static/products/4894/489451-83-4.webp)
(11-chloro-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl)(8-methyloctahydroquinolin-1(2H)-yl)methanone
TL;DR: (11-chloro-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl)(8-methyloctahydroquinolin-1(2H)-yl)methanone (CAS 489451-83-4) is a chemical compound with molecular formula C26H26ClF3N4O and molecular weight 502.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[15-chloro-11-(trifluoromethyl)-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,13,15-heptaen-14-yl]-(8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone
Also Known As: (11-chloro-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl)(8-methyloctahydroquinolin-1(2H)-yl)methanone, [11-chloro-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl](8-methyloctahydroquinolin-1(2H)-yl)methanone, [11-CHLORO-7-(TRIFLUOROMETHYL)-5,6-DIHYDROBENZO[H]PYRAZOLO[5,1-B]QUINAZOLIN-10-YL][8-METHYLOCTAHYDRO-1(2H)-QUINOLINYL]METHANONE, [15-chloro-11-(trifluoromethyl)-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,13,15-heptaen-14-yl]-(8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone, 11-chloro-10-[(8-methyloctahydro-1(2H)-quinolinyl)carbonyl]-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline
| Molecular Formula | C26H26ClF3N4O |
|---|---|
| Molecular Weight | 502.17 g/mol |
| LogP | 6.2079 |
| Topological Polar Surface Area | 50.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 502.1747 |
| Heavy Atoms | 35 |
| Complexity | 1332.3586 |
Chemical Identifiers
| CAS Number | 489451-83-4 |
|---|---|
| SMILES | CC1CCCC2C1N(CCC2)C(=O)C3=NN4C(=C5CCC6=CC=CC=C6C5=NC4=C3Cl)C(F)(F)F |
Product Overview
(11-chloro-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl)(8-methyloctahydroquinolin-1(2H)-yl)methanone (CAS 489451-83-4), with molecular formula C26H26ClF3N4O and molecular weight 502.17 g/mol. IUPAC: [15-chloro-11-(trifluoromethyl)-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,13,15-heptaen-14-yl]-(8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone.
Chemical Property Profile of (11-chloro-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl)(8-methyloctahydroquinolin-1(2H)-yl)methanone
Property Insights of (11-chloro-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl)(8-methyloctahydroquinolin-1(2H)-yl)methanone
The XLogP value of 6.2079 indicates that (11-chloro-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl)(8-methyloctahydroquinolin-1(2H)-yl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.5 Ų, (11-chloro-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl)(8-methyloctahydroquinolin-1(2H)-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (11-chloro-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl)(8-methyloctahydroquinolin-1(2H)-yl)methanone has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (11-chloro-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl)(8-methyloctahydroquinolin-1(2H)-yl)methanone?
The CAS number of (11-chloro-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl)(8-methyloctahydroquinolin-1(2H)-yl)methanone is 489451-83-4.
What is the molecular formula of (11-chloro-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl)(8-methyloctahydroquinolin-1(2H)-yl)methanone?
The molecular formula of (11-chloro-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl)(8-methyloctahydroquinolin-1(2H)-yl)methanone is C26H26ClF3N4O.
What is the molecular weight of (11-chloro-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl)(8-methyloctahydroquinolin-1(2H)-yl)methanone?
The molecular weight of (11-chloro-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl)(8-methyloctahydroquinolin-1(2H)-yl)methanone is 502.17 g/mol.
Where can I buy (11-chloro-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl)(8-methyloctahydroquinolin-1(2H)-yl)methanone?
You can request a quote for (11-chloro-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl)(8-methyloctahydroquinolin-1(2H)-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (11-chloro-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl)(8-methyloctahydroquinolin-1(2H)-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (11-chloro-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl)(8-methyloctahydroquinolin-1(2H)-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.