8J-025
TL;DR: 8J-025 (CAS 339099-64-8) is a chemical compound with molecular formula C24H22ClF3N4O2 and molecular weight 490.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-[5-(4-phenylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]propan-1-one
Also Known As: 8J-025, 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1-[5-(4-phenylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]propan-1-one, 2-(3-Chloro-5-(trifluoromethyl)-2-pyridinyl)-1-(5-((4-phenylpiperazino)carbonyl)-1H-pyrrol-3-yl)-1-propanone, 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-{5-[(4-phenylpiperazino)carbonyl]-1H-pyrrol-3-yl}-1-propanone
| Molecular Formula | C24H22ClF3N4O2 |
|---|---|
| Molecular Weight | 490.14 g/mol |
| LogP | 5.0307 |
| Topological Polar Surface Area | 69.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 490.13834 |
| Heavy Atoms | 34 |
| Complexity | 1188.4288 |
Chemical Identifiers
| CAS Number | 339099-64-8 |
|---|---|
| SMILES | CC(C1=C(C=C(C=N1)C(F)(F)F)Cl)C(=O)C2=CNC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4 |
Product Overview
8J-025 (CAS 339099-64-8), with molecular formula C24H22ClF3N4O2 and molecular weight 490.14 g/mol. IUPAC: 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-[5-(4-phenylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]propan-1-one.
Chemical Property Profile of 8J-025
Property Insights of 8J-025
The XLogP value of 5.0307 indicates that 8J-025 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 8J-025. Following Lipinski's Rule of Five, 8J-025 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 8J-025?
The CAS number of 8J-025 is 339099-64-8.
What is the molecular formula of 8J-025?
The molecular formula of 8J-025 is C24H22ClF3N4O2.
What is the molecular weight of 8J-025?
The molecular weight of 8J-025 is 490.14 g/mol.
Where can I buy 8J-025?
You can request a quote for 8J-025 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8J-025?
Yes, KEHONG BIO provides custom synthesis services for 8J-025 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.