8J-018
TL;DR: 8J-018 (CAS 339099-47-7) is a chemical compound with molecular formula C15H9Cl4F3N2O2 and molecular weight 445.94 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-(2,2,2-trichloroacetyl)-1H-pyrrol-3-yl]propan-1-one
Also Known As: 8J-018, 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1-[5-(2,2,2-trichloroacetyl)-1H-pyrrol-3-yl]propan-1-one, 2-(3-Chloro-5-(trifluoromethyl)-2-pyridinyl)-1-(5-(2,2,2-trichloroacetyl)-1H-pyrrol-3-yl)-1-propanone, 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-[5-(2,2,2-trichloroacetyl)-1H-pyrrol-3-yl]-1-propanone
| Molecular Formula | C15H9Cl4F3N2O2 |
|---|---|
| Molecular Weight | 445.94 g/mol |
| LogP | 5.6212 |
| Topological Polar Surface Area | 62.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 445.937 |
| Heavy Atoms | 26 |
| Complexity | 859.3069 |
Chemical Identifiers
| CAS Number | 339099-47-7 |
|---|---|
| SMILES | CC(C1=C(C=C(C=N1)C(F)(F)F)Cl)C(=O)C2=CNC(=C2)C(=O)C(Cl)(Cl)Cl |
Product Overview
8J-018 (CAS 339099-47-7), with molecular formula C15H9Cl4F3N2O2 and molecular weight 445.94 g/mol. IUPAC: 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-[5-(2,2,2-trichloroacetyl)-1H-pyrrol-3-yl]propan-1-one.
Chemical Property Profile of 8J-018
Property Insights of 8J-018
The XLogP value of 5.6212 indicates that 8J-018 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 8J-018. Following Lipinski's Rule of Five, 8J-018 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8J-018?
The CAS number of 8J-018 is 339099-47-7.
What is the molecular formula of 8J-018?
The molecular formula of 8J-018 is C15H9Cl4F3N2O2.
What is the molecular weight of 8J-018?
The molecular weight of 8J-018 is 445.94 g/mol.
Where can I buy 8J-018?
You can request a quote for 8J-018 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8J-018?
Yes, KEHONG BIO provides custom synthesis services for 8J-018 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.