ChemDiv1_004168
TL;DR: ChemDiv1_004168 (CAS 354537-75-0) is a chemical compound with molecular formula C25H21Cl2F3N6O2 and molecular weight 564.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,4-dichlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: ChemDiv1_004168, BIM-0003834.P001, 5-(3,4-dichlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide, [5-(3,4-dichlorophenyl)-7-(trifluoromethyl)(4H,5H,6H,7H-pyrazolo[1,5-a]1,3-dia zaperhydroin-2-yl)]-N-(2,3-dimethyl-5-oxo-1-phenyl(3-pyrazolin-4-yl))carboxami de, 5-(3,4-DICHLOROPHENYL)-N-(1,5-DIMETHYL-3-OXO-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-4-YL)-7-(TRIFLUOROMETHYL)-4H,5H,6H,7H-PYRAZOLO[1,5-A]PYRIMIDINE-2-CARBOXAMIDE
| Molecular Formula | C25H21Cl2F3N6O2 |
|---|---|
| Molecular Weight | 564.11 g/mol |
| LogP | 5.90032 |
| Topological Polar Surface Area | 85.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 564.1055 |
| Heavy Atoms | 38 |
| Complexity | 1593.0482 |
Chemical Identifiers
| CAS Number | 354537-75-0 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=NN4C(CC(NC4=C3)C5=CC(=C(C=C5)Cl)Cl)C(F)(F)F |
Product Overview
ChemDiv1_004168 (CAS 354537-75-0), with molecular formula C25H21Cl2F3N6O2 and molecular weight 564.11 g/mol. IUPAC: 5-(3,4-dichlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of ChemDiv1_004168
Property Insights of ChemDiv1_004168
The XLogP value of 5.90032 indicates that ChemDiv1_004168 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.88 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004168. Following Lipinski's Rule of Five, ChemDiv1_004168 has 2 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_004168?
The CAS number of ChemDiv1_004168 is 354537-75-0.
What is the molecular formula of ChemDiv1_004168?
The molecular formula of ChemDiv1_004168 is C25H21Cl2F3N6O2.
What is the molecular weight of ChemDiv1_004168?
The molecular weight of ChemDiv1_004168 is 564.11 g/mol.
Where can I buy ChemDiv1_004168?
You can request a quote for ChemDiv1_004168 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004168?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004168 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.