2J-039
TL;DR: 2J-039 (CAS 338770-80-2) is a chemical compound with molecular formula C16H8Cl2F3N3O2 and molecular weight 400.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione
Also Known As: 2J-039, 3-(4-chlorophenyl)-1-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}-1H-pyrrole-2,5-dione, 3-(4-chlorophenyl)-1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]pyrrole-2,5-dione, 1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-3-(4-chlorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
| Molecular Formula | C16H8Cl2F3N3O2 |
|---|---|
| Molecular Weight | 400.99 g/mol |
| LogP | 4.1865 |
| Topological Polar Surface Area | 62.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 400.99457 |
| Heavy Atoms | 26 |
| Complexity | 927.32745 |
Chemical Identifiers
| CAS Number | 338770-80-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC(=O)N(C2=O)NC3=C(C=C(C=N3)C(F)(F)F)Cl)Cl |
Product Overview
2J-039 (CAS 338770-80-2), with molecular formula C16H8Cl2F3N3O2 and molecular weight 400.99 g/mol. IUPAC: 3-(4-chlorophenyl)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione.
Chemical Property Profile of 2J-039
Property Insights of 2J-039
The XLogP value of 4.1865 indicates that 2J-039 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2J-039. Following Lipinski's Rule of Five, 2J-039 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2J-039?
The CAS number of 2J-039 is 338770-80-2.
What is the molecular formula of 2J-039?
The molecular formula of 2J-039 is C16H8Cl2F3N3O2.
What is the molecular weight of 2J-039?
The molecular weight of 2J-039 is 400.99 g/mol.
Where can I buy 2J-039?
You can request a quote for 2J-039 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2J-039?
Yes, KEHONG BIO provides custom synthesis services for 2J-039 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.