2J-908
TL;DR: 2J-908 (CAS 317822-46-1) is a chemical compound with molecular formula C22H19ClF3N7O4 and molecular weight 537.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-3-(3-methyl-5-oxo-1-phenyl-1,2,4-triazolidin-3-yl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 2J-908, 5-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-3-(3-methyl-5-oxo-1-phenyl-1,2,4-triazolan-3-yl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 5-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-3-(3-methyl-5-oxo-1-phenyl-1,2,4-triazolidin-3-yl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione, 5-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-3-(3-methyl-5-oxo-1-phenyl-1,2,4-triazolidin-3-yl)-3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 5-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-3-(3-methyl-5-oxo-1-phenyl-1,2,4-triazolidin-3-yl)-3aH,6aH-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
| Molecular Formula | C22H19ClF3N7O4 |
|---|---|
| Molecular Weight | 537.11 g/mol |
| LogP | 2.3561 |
| Topological Polar Surface Area | 128.26 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 537.1139 |
| Heavy Atoms | 37 |
| Complexity | 1308.9246 |
Chemical Identifiers
| CAS Number | 317822-46-1 |
|---|---|
| SMILES | CC1(NC(=O)N(N1)C2=CC=CC=C2)C3=NOC4C3C(=O)N(C4=O)CCNC5=C(C=C(C=N5)C(F)(F)F)Cl |
Product Overview
2J-908 (CAS 317822-46-1), with molecular formula C22H19ClF3N7O4 and molecular weight 537.11 g/mol. IUPAC: 5-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-3-(3-methyl-5-oxo-1-phenyl-1,2,4-triazolidin-3-yl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of 2J-908
Property Insights of 2J-908
The XLogP value of 2.3561 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2J-908. The TPSA of 128.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 2J-908. Following Lipinski's Rule of Five, 2J-908 has 3 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-908?
The CAS number of 2J-908 is 317822-46-1.
What is the molecular formula of 2J-908?
The molecular formula of 2J-908 is C22H19ClF3N7O4.
What is the molecular weight of 2J-908?
The molecular weight of 2J-908 is 537.11 g/mol.
Where can I buy 2J-908?
You can request a quote for 2J-908 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2J-908?
Yes, KEHONG BIO provides custom synthesis services for 2J-908 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.