ChemDiv1_004124
TL;DR: ChemDiv1_004124 (CAS 332857-27-9) is a chemical compound with molecular formula C21H15Cl2F3N4O3 and molecular weight 498.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-5-(3,4-dichlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: ChemDiv1_004124, BAS 01841571, BIM-0014532.P001, N-(1,3-benzodioxol-5-yl)-5-(3,4-dichlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide, AE-848/14138121
| Molecular Formula | C21H15Cl2F3N4O3 |
|---|---|
| Molecular Weight | 498.05 g/mol |
| LogP | 5.8312 |
| Topological Polar Surface Area | 77.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 498.04733 |
| Heavy Atoms | 33 |
| Complexity | 1247.9781 |
Chemical Identifiers
| CAS Number | 332857-27-9 |
|---|---|
| SMILES | C1C(NC2=CC(=NN2C1C(F)(F)F)C(=O)NC3=CC4=C(C=C3)OCO4)C5=CC(=C(C=C5)Cl)Cl |
Product Overview
ChemDiv1_004124 (CAS 332857-27-9), with molecular formula C21H15Cl2F3N4O3 and molecular weight 498.05 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-5-(3,4-dichlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of ChemDiv1_004124
Property Insights of ChemDiv1_004124
The XLogP value of 5.8312 indicates that ChemDiv1_004124 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.41 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004124. Following Lipinski's Rule of Five, ChemDiv1_004124 has 2 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 ChemDiv1_004124?
The CAS number of ChemDiv1_004124 is 332857-27-9.
What is the molecular formula of ChemDiv1_004124?
The molecular formula of ChemDiv1_004124 is C21H15Cl2F3N4O3.
What is the molecular weight of ChemDiv1_004124?
The molecular weight of ChemDiv1_004124 is 498.05 g/mol.
Where can I buy ChemDiv1_004124?
You can request a quote for ChemDiv1_004124 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004124?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004124 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.