ChemDiv1_004118
TL;DR: ChemDiv1_004118 (CAS 332856-48-1) is a chemical compound with molecular formula C26H23F3N6O4 and molecular weight 540.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Also Known As: ChemDiv1_004118, BAS 01841419, 5-(1,3-benzodioxol-5-yl)-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-3-carboxamide, 5-(1,3-benzodioxol-5-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, 5-(1,3-benzodioxol-5-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
| Molecular Formula | C26H23F3N6O4 |
|---|---|
| Molecular Weight | 540.17 g/mol |
| LogP | 4.32222 |
| Topological Polar Surface Area | 104.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 540.1733 |
| Heavy Atoms | 39 |
| Complexity | 1639.7579 |
Chemical Identifiers
| CAS Number | 332856-48-1 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C4NC(CC(N4N=C3)C(F)(F)F)C5=CC6=C(C=C5)OCO6 |
Product Overview
ChemDiv1_004118 (CAS 332856-48-1), with molecular formula C26H23F3N6O4 and molecular weight 540.17 g/mol. IUPAC: 5-(1,3-benzodioxol-5-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
Chemical Property Profile of ChemDiv1_004118
Property Insights of ChemDiv1_004118
The XLogP value of 4.32222 indicates that ChemDiv1_004118 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.34 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004118. Following Lipinski's Rule of Five, ChemDiv1_004118 has 2 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_004118?
The CAS number of ChemDiv1_004118 is 332856-48-1.
What is the molecular formula of ChemDiv1_004118?
The molecular formula of ChemDiv1_004118 is C26H23F3N6O4.
What is the molecular weight of ChemDiv1_004118?
The molecular weight of ChemDiv1_004118 is 540.17 g/mol.
Where can I buy ChemDiv1_004118?
You can request a quote for ChemDiv1_004118 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004118?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004118 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.