4J-936
TL;DR: 4J-936 (CAS 339276-46-9) is a chemical compound with molecular formula C14H9F3N2O4 and molecular weight 326.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-5-[3-(trifluoromethyl)phenyl]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 4J-936, 3-acetyl-5-[3-(trifluoromethyl)phenyl]-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 3-acetyl-5-[3-(trifluoromethyl)phenyl]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione, 3-acetyl-5-[3-(trifluoromethyl)phenyl]-3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
| Molecular Formula | C14H9F3N2O4 |
|---|---|
| Molecular Weight | 326.05 g/mol |
| LogP | 1.5386 |
| Topological Polar Surface Area | 76.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 326.05145 |
| Heavy Atoms | 23 |
| Complexity | 756.6344 |
Chemical Identifiers
| CAS Number | 339276-46-9 |
|---|---|
| SMILES | CC(=O)C1=NOC2C1C(=O)N(C2=O)C3=CC=CC(=C3)C(F)(F)F |
Product Overview
4J-936 (CAS 339276-46-9), with molecular formula C14H9F3N2O4 and molecular weight 326.05 g/mol. IUPAC: 3-acetyl-5-[3-(trifluoromethyl)phenyl]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of 4J-936
Property Insights of 4J-936
The XLogP value of 1.5386 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4J-936. The TPSA of 76.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 4J-936. Following Lipinski's Rule of Five, 4J-936 has 0 hydrogen bond donor(s) and 5 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 4J-936?
The CAS number of 4J-936 is 339276-46-9.
What is the molecular formula of 4J-936?
The molecular formula of 4J-936 is C14H9F3N2O4.
What is the molecular weight of 4J-936?
The molecular weight of 4J-936 is 326.05 g/mol.
Where can I buy 4J-936?
You can request a quote for 4J-936 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4J-936?
Yes, KEHONG BIO provides custom synthesis services for 4J-936 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.