![3-benzyl-7-phenyl-8-[3-(trifluoromethyl)phenyl]-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione structure](/static/products/102/1022658-24-7.png)
3-benzyl-7-phenyl-8-[3-(trifluoromethyl)phenyl]-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione
TL;DR: 3-benzyl-7-phenyl-8-[3-(trifluoromethyl)phenyl]-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione (CAS 1022658-24-7) is a chemical compound with molecular formula C25H19F3N2O3 and molecular weight 452.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-2-phenyl-3-[3-(trifluoromethyl)phenyl]-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 3-benzyl-7-phenyl-8-[3-(trifluoromethyl)phenyl]-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione, 5-benzyl-2-phenyl-3-(3-(trifluoromethyl)phenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 5-benzyl-2-phenyl-3-[3-(trifluoromethyl)phenyl]-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 5-benzyl-2-phenyl-3-[3-(trifluoromethyl)phenyl]dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
| Molecular Formula | C25H19F3N2O3 |
|---|---|
| Molecular Weight | 452.13 g/mol |
| LogP | 4.7521 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 452.13477 |
| Heavy Atoms | 33 |
| Complexity | 1184.2614 |
Chemical Identifiers
| CAS Number | 1022658-24-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC(=CC=C5)C(F)(F)F |
Product Overview
3-benzyl-7-phenyl-8-[3-(trifluoromethyl)phenyl]-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione (CAS 1022658-24-7), with molecular formula C25H19F3N2O3 and molecular weight 452.13 g/mol. IUPAC: 5-benzyl-2-phenyl-3-[3-(trifluoromethyl)phenyl]-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of 3-benzyl-7-phenyl-8-[3-(trifluoromethyl)phenyl]-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione
Property Insights of 3-benzyl-7-phenyl-8-[3-(trifluoromethyl)phenyl]-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione
The XLogP value of 4.7521 indicates that 3-benzyl-7-phenyl-8-[3-(trifluoromethyl)phenyl]-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.85 Ų, 3-benzyl-7-phenyl-8-[3-(trifluoromethyl)phenyl]-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-benzyl-7-phenyl-8-[3-(trifluoromethyl)phenyl]-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione has 0 hydrogen bond donor(s) and 4 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 3-benzyl-7-phenyl-8-[3-(trifluoromethyl)phenyl]-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione?
The CAS number of 3-benzyl-7-phenyl-8-[3-(trifluoromethyl)phenyl]-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione is 1022658-24-7.
What is the molecular formula of 3-benzyl-7-phenyl-8-[3-(trifluoromethyl)phenyl]-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione?
The molecular formula of 3-benzyl-7-phenyl-8-[3-(trifluoromethyl)phenyl]-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione is C25H19F3N2O3.
What is the molecular weight of 3-benzyl-7-phenyl-8-[3-(trifluoromethyl)phenyl]-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione?
The molecular weight of 3-benzyl-7-phenyl-8-[3-(trifluoromethyl)phenyl]-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione is 452.13 g/mol.
Where can I buy 3-benzyl-7-phenyl-8-[3-(trifluoromethyl)phenyl]-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione?
You can request a quote for 3-benzyl-7-phenyl-8-[3-(trifluoromethyl)phenyl]-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-benzyl-7-phenyl-8-[3-(trifluoromethyl)phenyl]-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-7-phenyl-8-[3-(trifluoromethyl)phenyl]-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.