ChemDiv1_004032
TL;DR: ChemDiv1_004032 (CAS 332856-76-5) is a chemical compound with molecular formula C21H17BrF3N5O4 and molecular weight 539.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-bromophenyl)-N-(3-methoxy-5-nitrophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: ChemDiv1_004032, BAS 01841466, BIM-0011659.P001, 5-(4-bromophenyl)-N-(3-methoxy-5-nitrophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide, 5-(4-bromophenyl)-N-(3-methoxy-5-nitrophenyl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
| Molecular Formula | C21H17BrF3N5O4 |
|---|---|
| Molecular Weight | 539.04 g/mol |
| LogP | 5.475 |
| Topological Polar Surface Area | 111.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 539.0416 |
| Heavy Atoms | 34 |
| Complexity | 1246.1962 |
Chemical Identifiers
| CAS Number | 332856-76-5 |
|---|---|
| SMILES | COC1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C2=NN3C(CC(NC3=C2)C4=CC=C(C=C4)Br)C(F)(F)F |
Product Overview
ChemDiv1_004032 (CAS 332856-76-5), with molecular formula C21H17BrF3N5O4 and molecular weight 539.04 g/mol. IUPAC: 5-(4-bromophenyl)-N-(3-methoxy-5-nitrophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of ChemDiv1_004032
Property Insights of ChemDiv1_004032
The XLogP value of 5.475 indicates that ChemDiv1_004032 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.32 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004032. Following Lipinski's Rule of Five, ChemDiv1_004032 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_004032?
The CAS number of ChemDiv1_004032 is 332856-76-5.
What is the molecular formula of ChemDiv1_004032?
The molecular formula of ChemDiv1_004032 is C21H17BrF3N5O4.
What is the molecular weight of ChemDiv1_004032?
The molecular weight of ChemDiv1_004032 is 539.04 g/mol.
Where can I buy ChemDiv1_004032?
You can request a quote for ChemDiv1_004032 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004032?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004032 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.