ChemDiv1_012620
TL;DR: ChemDiv1_012620 (CAS 333763-18-1) is a chemical compound with molecular formula C19H17BrF3N5O and molecular weight 467.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(4-methylpiperazin-1-yl)methanone
Also Known As: ChemDiv1_012620, BAS 00924273, A2015/0084589, [5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(4-methylpiperazin-1-yl)methanone, [5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl](4-methylpiperazino)methanone
| Molecular Formula | C19H17BrF3N5O |
|---|---|
| Molecular Weight | 467.06 g/mol |
| LogP | 3.5652 |
| Topological Polar Surface Area | 53.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 467.05685 |
| Heavy Atoms | 29 |
| Complexity | 1056.1321 |
Chemical Identifiers
| CAS Number | 333763-18-1 |
|---|---|
| SMILES | CN1CCN(CC1)C(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=C(C=C4)Br)C(F)(F)F |
Product Overview
ChemDiv1_012620 (CAS 333763-18-1), with molecular formula C19H17BrF3N5O and molecular weight 467.06 g/mol. IUPAC: [5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(4-methylpiperazin-1-yl)methanone.
Chemical Property Profile of ChemDiv1_012620
Property Insights of ChemDiv1_012620
The XLogP value of 3.5652 indicates that ChemDiv1_012620 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_012620 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_012620 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_012620?
The CAS number of ChemDiv1_012620 is 333763-18-1.
What is the molecular formula of ChemDiv1_012620?
The molecular formula of ChemDiv1_012620 is C19H17BrF3N5O.
What is the molecular weight of ChemDiv1_012620?
The molecular weight of ChemDiv1_012620 is 467.06 g/mol.
Where can I buy ChemDiv1_012620?
You can request a quote for ChemDiv1_012620 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_012620?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_012620 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.