ChemDiv1_012404
TL;DR: ChemDiv1_012404 (CAS 333764-40-2) is a chemical compound with molecular formula C19H16BrClF3N5O and molecular weight 501.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(4-methylpiperazin-1-yl)methanone
Also Known As: ChemDiv1_012404, BAS 00924420, [5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(4-methylpiperazin-1-yl)methanone, 5-(4-bromophenyl)-3-chloro-2-[(4-methyl-1-piperazinyl)carbonyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine, [5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl](4-methylpiperazin-1-yl)methanone
| Molecular Formula | C19H16BrClF3N5O |
|---|---|
| Molecular Weight | 501.02 g/mol |
| LogP | 4.2186 |
| Topological Polar Surface Area | 53.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 501.01788 |
| Heavy Atoms | 30 |
| Complexity | 1108.0408 |
Chemical Identifiers
| CAS Number | 333764-40-2 |
|---|---|
| SMILES | CN1CCN(CC1)C(=O)C2=NN3C(=CC(=NC3=C2Cl)C4=CC=C(C=C4)Br)C(F)(F)F |
Product Overview
ChemDiv1_012404 (CAS 333764-40-2), with molecular formula C19H16BrClF3N5O and molecular weight 501.02 g/mol. IUPAC: [5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(4-methylpiperazin-1-yl)methanone.
Chemical Property Profile of ChemDiv1_012404
Property Insights of ChemDiv1_012404
The XLogP value of 4.2186 indicates that ChemDiv1_012404 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.74 Ų, ChemDiv1_012404 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_012404 has 0 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_012404?
The CAS number of ChemDiv1_012404 is 333764-40-2.
What is the molecular formula of ChemDiv1_012404?
The molecular formula of ChemDiv1_012404 is C19H16BrClF3N5O.
What is the molecular weight of ChemDiv1_012404?
The molecular weight of ChemDiv1_012404 is 501.02 g/mol.
Where can I buy ChemDiv1_012404?
You can request a quote for ChemDiv1_012404 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_012404?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_012404 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.