1J-927
TL;DR: 1J-927 (CAS 321433-48-1) is a chemical compound with molecular formula C15H12ClF3N4O5 and molecular weight 420.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-3-carboxylate
Also Known As: 1J-927, ethyl 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-4,6-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-3-carboxylate, ethyl 5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-3-carboxylate, ethyl 5-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-4,6-dioxo-3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2]oxazole-3-carboxylate, ethyl5-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-4,6-dioxo-3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2]oxazole-3-carboxylate
| Molecular Formula | C15H12ClF3N4O5 |
|---|---|
| Molecular Weight | 420.04 g/mol |
| LogP | 1.4079 |
| Topological Polar Surface Area | 101.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.04483 |
| Heavy Atoms | 28 |
| Complexity | 890.9176 |
Chemical Identifiers
| CAS Number | 321433-48-1 |
|---|---|
| SMILES | CCOC(=O)C1=NOC2C1C(=O)N(C2=O)N(C)C3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
1J-927 (CAS 321433-48-1), with molecular formula C15H12ClF3N4O5 and molecular weight 420.04 g/mol. IUPAC: ethyl 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-3-carboxylate.
Chemical Property Profile of 1J-927
Property Insights of 1J-927
The XLogP value of 1.4079 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1J-927. The TPSA of 101.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1J-927. Following Lipinski's Rule of Five, 1J-927 has 0 hydrogen bond donor(s) and 8 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 1J-927?
The CAS number of 1J-927 is 321433-48-1.
What is the molecular formula of 1J-927?
The molecular formula of 1J-927 is C15H12ClF3N4O5.
What is the molecular weight of 1J-927?
The molecular weight of 1J-927 is 420.04 g/mol.
Where can I buy 1J-927?
You can request a quote for 1J-927 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1J-927?
Yes, KEHONG BIO provides custom synthesis services for 1J-927 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.