ChemDiv1_003946
TL;DR: ChemDiv1_003946 (CAS 351895-11-9) is a chemical compound with molecular formula C25H25BrF3N5O2 and molecular weight 563.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(4-bromophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
Also Known As: ChemDiv1_003946, BIM-0002200.P001, AE-848/14138100, (5-(4-bromophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)(4-(2-methoxyphenyl)piperazin-1-yl)methanone, [5-(4-bromophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl][4-(2-methoxyphenyl)piperazin-1-yl]methanone
| Molecular Formula | C25H25BrF3N5O2 |
|---|---|
| Molecular Weight | 563.11 g/mol |
| LogP | 5.2769 |
| Topological Polar Surface Area | 62.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 563.1144 |
| Heavy Atoms | 36 |
| Complexity | 1239.2368 |
Chemical Identifiers
| CAS Number | 351895-11-9 |
|---|---|
| SMILES | COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=C4NC(CC(N4N=C3)C(F)(F)F)C5=CC=C(C=C5)Br |
Product Overview
ChemDiv1_003946 (CAS 351895-11-9), with molecular formula C25H25BrF3N5O2 and molecular weight 563.11 g/mol. IUPAC: [5-(4-bromophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
Chemical Property Profile of ChemDiv1_003946
Property Insights of ChemDiv1_003946
The XLogP value of 5.2769 indicates that ChemDiv1_003946 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.63 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003946. Following Lipinski's Rule of Five, ChemDiv1_003946 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_003946?
The CAS number of ChemDiv1_003946 is 351895-11-9.
What is the molecular formula of ChemDiv1_003946?
The molecular formula of ChemDiv1_003946 is C25H25BrF3N5O2.
What is the molecular weight of ChemDiv1_003946?
The molecular weight of ChemDiv1_003946 is 563.11 g/mol.
Where can I buy ChemDiv1_003946?
You can request a quote for ChemDiv1_003946 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003946?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003946 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.