![3-benzyl-8-[5-(4-nitrophenyl)thiophen-2-yl]-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione structure](/static/products/102/1023352-95-5.webp)
3-benzyl-8-[5-(4-nitrophenyl)thiophen-2-yl]-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione
TL;DR: 3-benzyl-8-[5-(4-nitrophenyl)thiophen-2-yl]-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione (CAS 1023352-95-5) is a chemical compound with molecular formula C28H21N3O5S and molecular weight 511.12018 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-benzyl-3-[5-(4-nitrophenyl)thiophen-2-yl]-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: 3-benzyl-8-[5-(4-nitrophenyl)thiophen-2-yl]-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione, 5-benzyl-3-(5-(4-nitrophenyl)thiophen-2-yl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, 5-benzyl-3-[5-(4-nitrophenyl)thiophen-2-yl]-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, 5-benzyl-3-[5-(4-nitrophenyl)thiophen-2-yl]-2-phenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione
Technical Specifications
| Molecular Formula | C28H21N3O5S |
| Molecular Weight | 511.12018 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 511.12018 Da |
| Heavy Atoms | 37 |
| Complexity | 862.0 |
| SMILES | C1=CC=C(C=C1)CN2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC=C(S5)C6=CC=C(C=C6)[N+](=O)[O-] |
| InChIKey | FYJZSTHYPIYGTO-UHFFFAOYSA-N |
Chemical Property Profile of 3-benzyl-8-[5-(4-nitrophenyl)thiophen-2-yl]-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione
Property Insights of 3-benzyl-8-[5-(4-nitrophenyl)thiophen-2-yl]-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione
The XLogP value of 5.2 indicates that 3-benzyl-8-[5-(4-nitrophenyl)thiophen-2-yl]-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. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-benzyl-8-[5-(4-nitrophenyl)thiophen-2-yl]-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione. Following Lipinski's Rule of Five, 3-benzyl-8-[5-(4-nitrophenyl)thiophen-2-yl]-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-benzyl-8-[5-(4-nitrophenyl)thiophen-2-yl]-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione?
The CAS number of 3-benzyl-8-[5-(4-nitrophenyl)thiophen-2-yl]-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione is 1023352-95-5.
What is the molecular formula of 3-benzyl-8-[5-(4-nitrophenyl)thiophen-2-yl]-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione?
The molecular formula of 3-benzyl-8-[5-(4-nitrophenyl)thiophen-2-yl]-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione is C28H21N3O5S.
What is the molecular weight of 3-benzyl-8-[5-(4-nitrophenyl)thiophen-2-yl]-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione?
The molecular weight of 3-benzyl-8-[5-(4-nitrophenyl)thiophen-2-yl]-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione is 511.12018 g/mol.
Where can I buy 3-benzyl-8-[5-(4-nitrophenyl)thiophen-2-yl]-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione?
You can request a quote for 3-benzyl-8-[5-(4-nitrophenyl)thiophen-2-yl]-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-benzyl-8-[5-(4-nitrophenyl)thiophen-2-yl]-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]octane-2,4-dione?
Yes, CoreyChem provides custom synthesis services for 3-benzyl-8-[5-(4-nitrophenyl)thiophen-2-yl]-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.