![azepan-1-yl(7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl)methanone structure](/static/products/3129/312934-92-2.webp)
azepan-1-yl(7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl)methanone
TL;DR: azepan-1-yl(7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl)methanone (CAS 312934-92-2) is a chemical compound with molecular formula C22H21F3N4O and molecular weight 414.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azepan-1-yl-[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]methanone
Also Known As: azepan-1-yl(7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl)methanone, 10-(1-azepanylcarbonyl)-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline, 1-AZEPANYL[7-(TRIFLUOROMETHYL)-5,6-DIHYDROBENZO[H]PYRAZOLO[5,1-B]QUINAZOLIN-10-YL]METHANONE, azaperhydroepinyl 7-(trifluoromethyl)(5,6,8-trihydrobenzo[h]pyrazolo[5,1-b]qui nazolin-10-yl) ketone, azepan-1-yl[7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl]methanone
| Molecular Formula | C22H21F3N4O |
|---|---|
| Molecular Weight | 414.17 g/mol |
| LogP | 4.5299 |
| Topological Polar Surface Area | 50.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 414.16675 |
| Heavy Atoms | 30 |
| Complexity | 1127.3485 |
Chemical Identifiers
| CAS Number | 312934-92-2 |
|---|---|
| SMILES | C1CCCN(CC1)C(=O)C2=NN3C(=C2)N=C4C(=C3C(F)(F)F)CCC5=CC=CC=C54 |
Product Overview
azepan-1-yl(7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl)methanone (CAS 312934-92-2), with molecular formula C22H21F3N4O and molecular weight 414.17 g/mol. IUPAC: azepan-1-yl-[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]methanone.
Chemical Property Profile of azepan-1-yl(7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl)methanone
Property Insights of azepan-1-yl(7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl)methanone
The XLogP value of 4.5299 indicates that azepan-1-yl(7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-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, azepan-1-yl(7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, azepan-1-yl(7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl)methanone has 0 hydrogen bond donor(s) and 3 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 azepan-1-yl(7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl)methanone?
The CAS number of azepan-1-yl(7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl)methanone is 312934-92-2.
What is the molecular formula of azepan-1-yl(7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl)methanone?
The molecular formula of azepan-1-yl(7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl)methanone is C22H21F3N4O.
What is the molecular weight of azepan-1-yl(7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl)methanone?
The molecular weight of azepan-1-yl(7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl)methanone is 414.17 g/mol.
Where can I buy azepan-1-yl(7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl)methanone?
You can request a quote for azepan-1-yl(7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for azepan-1-yl(7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for azepan-1-yl(7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazolin-10-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.