ChemDiv1_012448
TL;DR: ChemDiv1_012448 (CAS 333764-52-6) is a chemical compound with molecular formula C20H18BrClF3N5O2 and molecular weight 531.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-bromophenyl)-3-chloro-N-(2-morpholin-4-ylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: ChemDiv1_012448, BAS 00924430, BIM-0035000.P001, 5-(4-bromophenyl)-3-chloro-N-(2-morpholin-4-ylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide, 5-(4-bromophenyl)-3-chloro-N-[2-(morpholin-4-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
| Molecular Formula | C20H18BrClF3N5O2 |
|---|---|
| Molecular Weight | 531.03 g/mol |
| LogP | 3.893 |
| Topological Polar Surface Area | 71.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 531.02844 |
| Heavy Atoms | 32 |
| Complexity | 1130.951 |
Chemical Identifiers
| CAS Number | 333764-52-6 |
|---|---|
| SMILES | C1COCCN1CCNC(=O)C2=NN3C(=CC(=NC3=C2Cl)C4=CC=C(C=C4)Br)C(F)(F)F |
Product Overview
ChemDiv1_012448 (CAS 333764-52-6), with molecular formula C20H18BrClF3N5O2 and molecular weight 531.03 g/mol. IUPAC: 5-(4-bromophenyl)-3-chloro-N-(2-morpholin-4-ylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of ChemDiv1_012448
Property Insights of ChemDiv1_012448
The XLogP value of 3.893 indicates that ChemDiv1_012448 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.76 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_012448. Following Lipinski's Rule of Five, ChemDiv1_012448 has 1 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_012448?
The CAS number of ChemDiv1_012448 is 333764-52-6.
What is the molecular formula of ChemDiv1_012448?
The molecular formula of ChemDiv1_012448 is C20H18BrClF3N5O2.
What is the molecular weight of ChemDiv1_012448?
The molecular weight of ChemDiv1_012448 is 531.03 g/mol.
Where can I buy ChemDiv1_012448?
You can request a quote for ChemDiv1_012448 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_012448?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_012448 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.