ChemDiv1_002968
TL;DR: ChemDiv1_002968 (CAS 313387-32-5) is a chemical compound with molecular formula C23H17BrF3N5O2S and molecular weight 563.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[3-bromo-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazin-1-yl]-phenylmethanone
Also Known As: ChemDiv1_002968, BAS 00435163, BIM-0009259.P001, [4-[3-bromo-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazin-1-yl]-phenylmethanone, (4-benzoylpiperazin-1-yl)(3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl)methanone
| Molecular Formula | C23H17BrF3N5O2S |
|---|---|
| Molecular Weight | 563.02 g/mol |
| LogP | 4.8373 |
| Topological Polar Surface Area | 70.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 563.02386 |
| Heavy Atoms | 35 |
| Complexity | 1398.3033 |
Chemical Identifiers
| CAS Number | 313387-32-5 |
|---|---|
| SMILES | C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=NN4C(=CC(=NC4=C3Br)C5=CC=CS5)C(F)(F)F |
Product Overview
ChemDiv1_002968 (CAS 313387-32-5), with molecular formula C23H17BrF3N5O2S and molecular weight 563.02 g/mol. IUPAC: [4-[3-bromo-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]piperazin-1-yl]-phenylmethanone.
Chemical Property Profile of ChemDiv1_002968
Property Insights of ChemDiv1_002968
The XLogP value of 4.8373 indicates that ChemDiv1_002968 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.81 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002968. Following Lipinski's Rule of Five, ChemDiv1_002968 has 0 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_002968?
The CAS number of ChemDiv1_002968 is 313387-32-5.
What is the molecular formula of ChemDiv1_002968?
The molecular formula of ChemDiv1_002968 is C23H17BrF3N5O2S.
What is the molecular weight of ChemDiv1_002968?
The molecular weight of ChemDiv1_002968 is 563.02 g/mol.
Where can I buy ChemDiv1_002968?
You can request a quote for ChemDiv1_002968 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002968?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002968 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.