6-(3-Nitrophenyl)-1-oxa-6-azaspiro(2.4)heptane-5,7-dione
TL;DR: 6-(3-Nitrophenyl)-1-oxa-6-azaspiro(2.4)heptane-5,7-dione (CAS 123077-82-7) is a chemical compound with molecular formula C11H8N2O5 and molecular weight 248.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-nitrophenyl)-1-oxa-6-azaspiro[2.4]heptane-5,7-dione
Also Known As: 6-(3-Nitrophenyl)-1-oxa-6-azaspiro(2.4)heptane-5,7-dione, 6-(3-nitrophenyl)-1-oxa-6-azaspiro[2.4]heptane-5,7-dione, 1-Oxa-6-azaspiro(2.4)heptane-5,7-dione, 6-(3-nitrophenyl)-, 6-(3-nitrophenyl)-2-oxa-6-azaspiro[2.4]heptane-5,7-dione, 5-(3-NITROPHENYL)-1-OXA-5-AZASPIRO[2.4]HEPTANE-4,6-DIONE
| Molecular Formula | C11H8N2O5 |
|---|---|
| Molecular Weight | 248.04 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 95.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 248.04332 |
| Heavy Atoms | 18 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 123077-82-7 |
|---|---|
| SMILES | C1C(=O)N(C(=O)C12CO2)C3=CC(=CC=C3)[N+](=O)[O-] |
| InChIKey | ZDSIZFDSAHVGMY-UHFFFAOYSA-N |
Product Overview
6-(3-Nitrophenyl)-1-oxa-6-azaspiro(2.4)heptane-5,7-dione (CAS 123077-82-7), with molecular formula C11H8N2O5 and molecular weight 248.04 g/mol. IUPAC: 6-(3-nitrophenyl)-1-oxa-6-azaspiro[2.4]heptane-5,7-dione.
Chemical Property Profile of 6-(3-Nitrophenyl)-1-oxa-6-azaspiro(2.4)heptane-5,7-dione
Property Insights of 6-(3-Nitrophenyl)-1-oxa-6-azaspiro(2.4)heptane-5,7-dione
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(3-Nitrophenyl)-1-oxa-6-azaspiro(2.4)heptane-5,7-dione. The TPSA of 95.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(3-Nitrophenyl)-1-oxa-6-azaspiro(2.4)heptane-5,7-dione. Following Lipinski's Rule of Five, 6-(3-Nitrophenyl)-1-oxa-6-azaspiro(2.4)heptane-5,7-dione 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 6-(3-Nitrophenyl)-1-oxa-6-azaspiro(2.4)heptane-5,7-dione?
The CAS number of 6-(3-Nitrophenyl)-1-oxa-6-azaspiro(2.4)heptane-5,7-dione is 123077-82-7.
What is the molecular formula of 6-(3-Nitrophenyl)-1-oxa-6-azaspiro(2.4)heptane-5,7-dione?
The molecular formula of 6-(3-Nitrophenyl)-1-oxa-6-azaspiro(2.4)heptane-5,7-dione is C11H8N2O5.
What is the molecular weight of 6-(3-Nitrophenyl)-1-oxa-6-azaspiro(2.4)heptane-5,7-dione?
The molecular weight of 6-(3-Nitrophenyl)-1-oxa-6-azaspiro(2.4)heptane-5,7-dione is 248.04 g/mol.
Where can I buy 6-(3-Nitrophenyl)-1-oxa-6-azaspiro(2.4)heptane-5,7-dione?
You can request a quote for 6-(3-Nitrophenyl)-1-oxa-6-azaspiro(2.4)heptane-5,7-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(3-Nitrophenyl)-1-oxa-6-azaspiro(2.4)heptane-5,7-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-(3-Nitrophenyl)-1-oxa-6-azaspiro(2.4)heptane-5,7-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.