Bionet1_001901
TL;DR: Bionet1_001901 (CAS 338422-50-7) is a chemical compound with molecular formula C15H11F3N2O5 and molecular weight 356.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,6-dioxo-5-[3-(trifluoromethyl)phenyl]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-3-carboxylate
Also Known As: Bionet1_001901, 4H-929, ethyl 4,6-dioxo-5-[3-(trifluoromethyl)phenyl]-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-3-carboxylate, ethyl 4,6-dioxo-5-[3-(trifluoromethyl)phenyl]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-3-carboxylate, ethyl 4,6-dioxo-5-[3-(trifluoromethyl)phenyl]-3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2]oxazole-3-carboxylate
| Molecular Formula | C15H11F3N2O5 |
|---|---|
| Molecular Weight | 356.06 g/mol |
| LogP | 1.5127 |
| Topological Polar Surface Area | 85.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.062 |
| Heavy Atoms | 25 |
| Complexity | 789.61664 |
Chemical Identifiers
| CAS Number | 338422-50-7 |
|---|---|
| SMILES | CCOC(=O)C1=NOC2C1C(=O)N(C2=O)C3=CC=CC(=C3)C(F)(F)F |
Product Overview
Bionet1_001901 (CAS 338422-50-7), with molecular formula C15H11F3N2O5 and molecular weight 356.06 g/mol. IUPAC: ethyl 4,6-dioxo-5-[3-(trifluoromethyl)phenyl]-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-3-carboxylate.
Chemical Property Profile of Bionet1_001901
Property Insights of Bionet1_001901
The XLogP value of 1.5127 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_001901. The TPSA of 85.27 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_001901. Following Lipinski's Rule of Five, Bionet1_001901 has 0 hydrogen bond donor(s) and 6 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 Bionet1_001901?
The CAS number of Bionet1_001901 is 338422-50-7.
What is the molecular formula of Bionet1_001901?
The molecular formula of Bionet1_001901 is C15H11F3N2O5.
What is the molecular weight of Bionet1_001901?
The molecular weight of Bionet1_001901 is 356.06 g/mol.
Where can I buy Bionet1_001901?
You can request a quote for Bionet1_001901 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_001901?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_001901 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.