ChemDiv1_004082
TL;DR: ChemDiv1_004082 (CAS 6074-34-6) is a chemical compound with molecular formula C25H24ClF4N5O and molecular weight 521.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-benzylpiperazin-1-yl)-[3-chloro-5-(4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone
Also Known As: ChemDiv1_004082, BIM-0002194.P001, 2-[(4-benzyl-1-piperazinyl)carbonyl]-3-chloro-5-(4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine, (4-benzylpiperazin-1-yl)[3-chloro-5-(4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone, (4-benzylpiperazin-1-yl)-[3-chloro-5-(4-fluorophenyl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone
| Molecular Formula | C25H24ClF4N5O |
|---|---|
| Molecular Weight | 521.16 g/mol |
| LogP | 5.2939 |
| Topological Polar Surface Area | 53.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 521.1605 |
| Heavy Atoms | 36 |
| Complexity | 1223.7417 |
Chemical Identifiers
| CAS Number | 6074-34-6 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=NN4C(CC(NC4=C3Cl)C5=CC=C(C=C5)F)C(F)(F)F |
Product Overview
ChemDiv1_004082 (CAS 6074-34-6), with molecular formula C25H24ClF4N5O and molecular weight 521.16 g/mol. IUPAC: (4-benzylpiperazin-1-yl)-[3-chloro-5-(4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone.
Chemical Property Profile of ChemDiv1_004082
Property Insights of ChemDiv1_004082
The XLogP value of 5.2939 indicates that ChemDiv1_004082 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.4 Ų, ChemDiv1_004082 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_004082 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_004082?
The CAS number of ChemDiv1_004082 is 6074-34-6.
What is the molecular formula of ChemDiv1_004082?
The molecular formula of ChemDiv1_004082 is C25H24ClF4N5O.
What is the molecular weight of ChemDiv1_004082?
The molecular weight of ChemDiv1_004082 is 521.16 g/mol.
Where can I buy ChemDiv1_004082?
You can request a quote for ChemDiv1_004082 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004082?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004082 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.