![3-(4-butoxyphenyl)-8-(4-fluorophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione structure](/static/products/102/1022696-56-5.webp)
3-(4-butoxyphenyl)-8-(4-fluorophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione
TL;DR: 3-(4-butoxyphenyl)-8-(4-fluorophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione (CAS 1022696-56-5) is a chemical compound with molecular formula C27H25FN2O4 and molecular weight 460.17984 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-butoxyphenyl)-3-(4-fluorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 3-(4-butoxyphenyl)-8-(4-fluorophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione, 5-(4-butoxyphenyl)-3-(4-fluorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 5-(4-butoxyphenyl)-3-(4-fluorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione, 5-(4-butoxyphenyl)-3-(4-fluorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
Technical Specifications
| Molecular Formula | C27H25FN2O4 |
| Molecular Weight | 460.17984 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 59.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 460.17984 Da |
| Heavy Atoms | 34 |
| Complexity | 713.0 |
| SMILES | CCCCOC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)F |
| InChIKey | ATXDEDKBOFKTTG-UHFFFAOYSA-N |
Chemical Property Profile of 3-(4-butoxyphenyl)-8-(4-fluorophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione
Property Insights of 3-(4-butoxyphenyl)-8-(4-fluorophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione
The XLogP value of 5.4 indicates that 3-(4-butoxyphenyl)-8-(4-fluorophenyl)-7-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 59.1 Ų, 3-(4-butoxyphenyl)-8-(4-fluorophenyl)-7-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-(4-butoxyphenyl)-8-(4-fluorophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-(4-butoxyphenyl)-8-(4-fluorophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione?
The CAS number of 3-(4-butoxyphenyl)-8-(4-fluorophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione is 1022696-56-5.
What is the molecular formula of 3-(4-butoxyphenyl)-8-(4-fluorophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione?
The molecular formula of 3-(4-butoxyphenyl)-8-(4-fluorophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione is C27H25FN2O4.
What is the molecular weight of 3-(4-butoxyphenyl)-8-(4-fluorophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione?
The molecular weight of 3-(4-butoxyphenyl)-8-(4-fluorophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione is 460.17984 g/mol.
Where can I buy 3-(4-butoxyphenyl)-8-(4-fluorophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione?
You can request a quote for 3-(4-butoxyphenyl)-8-(4-fluorophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-butoxyphenyl)-8-(4-fluorophenyl)-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione?
Yes, CoreyChem provides custom synthesis services for 3-(4-butoxyphenyl)-8-(4-fluorophenyl)-7-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.