1J-051
TL;DR: 1J-051 (CAS 321432-68-2) is a chemical compound with molecular formula C17H8Cl2F3N5 and molecular weight 409.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine
Also Known As: 1J-051, 3-(4-chlorophenyl)-1-(6-chloro-3-pyridazinyl)-6-(trifluoromethyl)-1H-pyrazolo[4,3-b]pyridine, 3-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine, 3-chloro-6-[3-(4-chlorophenyl)-6-(trifluoromethyl)-1H-pyrazolo[4,3-b]pyridin-1-yl]pyridazine
| Molecular Formula | C17H8Cl2F3N5 |
|---|---|
| Molecular Weight | 409.01 g/mol |
| LogP | 5.2031 |
| Topological Polar Surface Area | 56.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 409.0109 |
| Heavy Atoms | 27 |
| Complexity | 1122.4755 |
Chemical Identifiers
| CAS Number | 321432-68-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NN(C3=C2N=CC(=C3)C(F)(F)F)C4=NN=C(C=C4)Cl)Cl |
Product Overview
1J-051 (CAS 321432-68-2), with molecular formula C17H8Cl2F3N5 and molecular weight 409.01 g/mol. IUPAC: 3-(4-chlorophenyl)-1-(6-chloropyridazin-3-yl)-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine.
Chemical Property Profile of 1J-051
Property Insights of 1J-051
The XLogP value of 5.2031 indicates that 1J-051 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.49 Ų, 1J-051 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1J-051 has 0 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 1J-051?
The CAS number of 1J-051 is 321432-68-2.
What is the molecular formula of 1J-051?
The molecular formula of 1J-051 is C17H8Cl2F3N5.
What is the molecular weight of 1J-051?
The molecular weight of 1J-051 is 409.01 g/mol.
Where can I buy 1J-051?
You can request a quote for 1J-051 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1J-051?
Yes, KEHONG BIO provides custom synthesis services for 1J-051 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.