ChemDiv1_012578
TL;DR: ChemDiv1_012578 (CAS 333764-04-8) is a chemical compound with molecular formula C25H18BrF3N6O2 and molecular weight 570.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-bromophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Also Known As: ChemDiv1_012578, BAS 00924375, 5-(4-bromophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide, 5-(4-bromophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
| Molecular Formula | C25H18BrF3N6O2 |
|---|---|
| Molecular Weight | 570.06 g/mol |
| LogP | 5.22772 |
| Topological Polar Surface Area | 86.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 570.0627 |
| Heavy Atoms | 37 |
| Complexity | 1703.3472 |
Chemical Identifiers
| CAS Number | 333764-04-8 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C4N=C(C=C(N4N=C3)C(F)(F)F)C5=CC=C(C=C5)Br |
Product Overview
ChemDiv1_012578 (CAS 333764-04-8), with molecular formula C25H18BrF3N6O2 and molecular weight 570.06 g/mol. IUPAC: 5-(4-bromophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
Chemical Property Profile of ChemDiv1_012578
Property Insights of ChemDiv1_012578
The XLogP value of 5.22772 indicates that ChemDiv1_012578 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.22 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_012578. Following Lipinski's Rule of Five, ChemDiv1_012578 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_012578?
The CAS number of ChemDiv1_012578 is 333764-04-8.
What is the molecular formula of ChemDiv1_012578?
The molecular formula of ChemDiv1_012578 is C25H18BrF3N6O2.
What is the molecular weight of ChemDiv1_012578?
The molecular weight of ChemDiv1_012578 is 570.06 g/mol.
Where can I buy ChemDiv1_012578?
You can request a quote for ChemDiv1_012578 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_012578?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_012578 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.