![11-chloro-N-[3,5-dimethyl-1-(3-phenoxybenzyl)-1H-pyrazol-4-yl]-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide structure](/static/products/4894/489451-38-9.webp)
11-chloro-N-[3,5-dimethyl-1-(3-phenoxybenzyl)-1H-pyrazol-4-yl]-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide
TL;DR: 11-chloro-N-[3,5-dimethyl-1-(3-phenoxybenzyl)-1H-pyrazol-4-yl]-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide (CAS 489451-38-9) is a chemical compound with molecular formula C34H26ClF3N6O2 and molecular weight 642.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
15-chloro-N-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-11-(trifluoromethyl)-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,13,15-heptaene-14-carboxamide
Also Known As: 11-chloro-N-[3,5-dimethyl-1-(3-phenoxybenzyl)-1H-pyrazol-4-yl]-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide, 11-chloro-N-(3,5-dimethyl-1-(3-phenoxybenzyl)-1H-pyrazol-4-yl)-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide, 15-chloro-N-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-11-(trifluoromethyl)-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,13,15-heptaene-14-carboxamide
| Molecular Formula | C34H26ClF3N6O2 |
|---|---|
| Molecular Weight | 642.18 g/mol |
| LogP | 8.07334 |
| Topological Polar Surface Area | 86.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 642.1758 |
| Heavy Atoms | 46 |
| Complexity | 2139.1536 |
Chemical Identifiers
| CAS Number | 489451-38-9 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C)NC(=O)C4=NN5C(=C6CCC7=CC=CC=C7C6=NC5=C4Cl)C(F)(F)F |
Product Overview
11-chloro-N-[3,5-dimethyl-1-(3-phenoxybenzyl)-1H-pyrazol-4-yl]-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide (CAS 489451-38-9), with molecular formula C34H26ClF3N6O2 and molecular weight 642.18 g/mol. IUPAC: 15-chloro-N-[3,5-dimethyl-1-[(3-phenoxyphenyl)methyl]pyrazol-4-yl]-11-(trifluoromethyl)-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,13,15-heptaene-14-carboxamide.
Chemical Property Profile of 11-chloro-N-[3,5-dimethyl-1-(3-phenoxybenzyl)-1H-pyrazol-4-yl]-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide
Property Insights of 11-chloro-N-[3,5-dimethyl-1-(3-phenoxybenzyl)-1H-pyrazol-4-yl]-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide
The XLogP value of 8.07334 indicates that 11-chloro-N-[3,5-dimethyl-1-(3-phenoxybenzyl)-1H-pyrazol-4-yl]-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 11-chloro-N-[3,5-dimethyl-1-(3-phenoxybenzyl)-1H-pyrazol-4-yl]-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide. Following Lipinski's Rule of Five, 11-chloro-N-[3,5-dimethyl-1-(3-phenoxybenzyl)-1H-pyrazol-4-yl]-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide has 1 hydrogen bond donor(s) and 5 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-N-[3,5-dimethyl-1-(3-phenoxybenzyl)-1H-pyrazol-4-yl]-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide?
The CAS number of 11-chloro-N-[3,5-dimethyl-1-(3-phenoxybenzyl)-1H-pyrazol-4-yl]-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide is 489451-38-9.
What is the molecular formula of 11-chloro-N-[3,5-dimethyl-1-(3-phenoxybenzyl)-1H-pyrazol-4-yl]-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide?
The molecular formula of 11-chloro-N-[3,5-dimethyl-1-(3-phenoxybenzyl)-1H-pyrazol-4-yl]-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide is C34H26ClF3N6O2.
What is the molecular weight of 11-chloro-N-[3,5-dimethyl-1-(3-phenoxybenzyl)-1H-pyrazol-4-yl]-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide?
The molecular weight of 11-chloro-N-[3,5-dimethyl-1-(3-phenoxybenzyl)-1H-pyrazol-4-yl]-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide is 642.18 g/mol.
Where can I buy 11-chloro-N-[3,5-dimethyl-1-(3-phenoxybenzyl)-1H-pyrazol-4-yl]-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide?
You can request a quote for 11-chloro-N-[3,5-dimethyl-1-(3-phenoxybenzyl)-1H-pyrazol-4-yl]-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-chloro-N-[3,5-dimethyl-1-(3-phenoxybenzyl)-1H-pyrazol-4-yl]-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 11-chloro-N-[3,5-dimethyl-1-(3-phenoxybenzyl)-1H-pyrazol-4-yl]-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.