2J-909
TL;DR: 2J-909 (CAS 317822-47-2) is a chemical compound with molecular formula C21H15Cl3F3N7O4 and molecular weight 591.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-[1-(2,4-dichlorophenyl)-3-methyl-5-oxo-1,2,4-triazolidin-3-yl]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 2J-909, 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-3-[1-(2,4-dichlorophenyl)-3-methyl-5-oxo-1,2,4-triazolan-3-yl]-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-3-[1-(2,4-dichlorophenyl)-3-methyl-5-oxo-1,2,4-triazolidin-3-yl]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione, 5-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-3-[1-(2,4-dichlorophenyl)-3-methyl-5-oxo-1,2,4-triazolidin-3-yl]-3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
| Molecular Formula | C21H15Cl3F3N7O4 |
|---|---|
| Molecular Weight | 591.02 g/mol |
| LogP | 3.6022 |
| Topological Polar Surface Area | 119.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 591.0203 |
| Heavy Atoms | 38 |
| Complexity | 1424.9138 |
Chemical Identifiers
| CAS Number | 317822-47-2 |
|---|---|
| SMILES | CC1(NC(=O)N(N1)C2=C(C=C(C=C2)Cl)Cl)C3=NOC4C3C(=O)N(C4=O)N(C)C5=C(C=C(C=N5)C(F)(F)F)Cl |
Product Overview
2J-909 (CAS 317822-47-2), with molecular formula C21H15Cl3F3N7O4 and molecular weight 591.02 g/mol. IUPAC: 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-[1-(2,4-dichlorophenyl)-3-methyl-5-oxo-1,2,4-triazolidin-3-yl]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of 2J-909
Property Insights of 2J-909
The XLogP value of 3.6022 indicates that 2J-909 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2J-909. Following Lipinski's Rule of Five, 2J-909 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2J-909?
The CAS number of 2J-909 is 317822-47-2.
What is the molecular formula of 2J-909?
The molecular formula of 2J-909 is C21H15Cl3F3N7O4.
What is the molecular weight of 2J-909?
The molecular weight of 2J-909 is 591.02 g/mol.
Where can I buy 2J-909?
You can request a quote for 2J-909 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2J-909?
Yes, KEHONG BIO provides custom synthesis services for 2J-909 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.