ChemDiv1_003902
TL;DR: ChemDiv1_003902 (CAS 351895-10-8) is a chemical compound with molecular formula C25H23BrF3N5O2 and molecular weight 561.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[5-(4-bromophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazin-1-yl]-phenylmethanone
Also Known As: ChemDiv1_003902, BIM-0003795.P001, AE-848/14138099, 3-[(4-benzoylpiperazin-1-yl)carbonyl]-5-(4-bromophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine, (4-benzoylpiperazin-1-yl)(5-(4-bromophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)methanone
| Molecular Formula | C25H23BrF3N5O2 |
|---|---|
| Molecular Weight | 561.10 g/mol |
| LogP | 4.9041 |
| Topological Polar Surface Area | 70.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 561.0987 |
| Heavy Atoms | 36 |
| Complexity | 1254.9491 |
Chemical Identifiers
| CAS Number | 351895-10-8 |
|---|---|
| SMILES | C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=C4NC(CC(N4N=C3)C(F)(F)F)C5=CC=C(C=C5)Br |
Product Overview
ChemDiv1_003902 (CAS 351895-10-8), with molecular formula C25H23BrF3N5O2 and molecular weight 561.10 g/mol. IUPAC: [4-[5-(4-bromophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazin-1-yl]-phenylmethanone.
Chemical Property Profile of ChemDiv1_003902
Property Insights of ChemDiv1_003902
The XLogP value of 4.9041 indicates that ChemDiv1_003902 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.47 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003902. Following Lipinski's Rule of Five, ChemDiv1_003902 has 1 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_003902?
The CAS number of ChemDiv1_003902 is 351895-10-8.
What is the molecular formula of ChemDiv1_003902?
The molecular formula of ChemDiv1_003902 is C25H23BrF3N5O2.
What is the molecular weight of ChemDiv1_003902?
The molecular weight of ChemDiv1_003902 is 561.10 g/mol.
Where can I buy ChemDiv1_003902?
You can request a quote for ChemDiv1_003902 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003902?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003902 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.