ChemDiv1_012668
TL;DR: ChemDiv1_012668 (CAS 333765-34-7) is a chemical compound with molecular formula C25H21F3N6O3 and molecular weight 510.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-benzylpiperazin-1-yl)-[5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
Also Known As: ChemDiv1_012668, BAS 00924531, (4-benzylpiperazin-1-yl)-[5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone, (4-benzylpiperazin-1-yl)(5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl)methanone, (4-benzylpiperazin-1-yl)[5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
| Molecular Formula | C25H21F3N6O3 |
|---|---|
| Molecular Weight | 510.16 g/mol |
| LogP | 4.2813 |
| Topological Polar Surface Area | 96.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 510.16272 |
| Heavy Atoms | 37 |
| Complexity | 1446.5612 |
Chemical Identifiers
| CAS Number | 333765-34-7 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=NN4C(=CC(=NC4=C3)C5=CC=C(C=C5)[N+](=O)[O-])C(F)(F)F |
Product Overview
ChemDiv1_012668 (CAS 333765-34-7), with molecular formula C25H21F3N6O3 and molecular weight 510.16 g/mol. IUPAC: (4-benzylpiperazin-1-yl)-[5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone.
Chemical Property Profile of ChemDiv1_012668
Property Insights of ChemDiv1_012668
The XLogP value of 4.2813 indicates that ChemDiv1_012668 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.88 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_012668. Following Lipinski's Rule of Five, ChemDiv1_012668 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_012668?
The CAS number of ChemDiv1_012668 is 333765-34-7.
What is the molecular formula of ChemDiv1_012668?
The molecular formula of ChemDiv1_012668 is C25H21F3N6O3.
What is the molecular weight of ChemDiv1_012668?
The molecular weight of ChemDiv1_012668 is 510.16 g/mol.
Where can I buy ChemDiv1_012668?
You can request a quote for ChemDiv1_012668 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_012668?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_012668 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.