![8-Nitrobenzo[b][1,4]benzoxazepine structure](/static/products/1639/16398-29-1.webp)
8-Nitrobenzo[b][1,4]benzoxazepine
TL;DR: 8-Nitrobenzo[b][1,4]benzoxazepine (CAS 16398-29-1) is a chemical compound with molecular formula C13H8N2O3 and molecular weight 240.0535 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-nitrobenzo[b][1,4]benzoxazepine
Also Known As: 2-nitrodibenzo[b,f][1,4]oxazepine, 8-nitrobenzo[b][1,4]benzoxazepine, Dibenz[b,f][1,4]oxazepine, 2-nitro-, J2.314.749A, 13-nitro-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,9,12,14-heptaene
Technical Specifications
| Molecular Formula | C13H8N2O3 |
| Molecular Weight | 240.0535 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 67.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 240.0535 Da |
| Heavy Atoms | 18 |
| Complexity | 353.0 |
| SMILES | C1=CC=C2C(=C1)N=CC3=C(O2)C=CC(=C3)[N+](=O)[O-] |
| InChIKey | SYLIEQPXLCNFKC-UHFFFAOYSA-N |
Chemical Property Profile of 8-Nitrobenzo[b][1,4]benzoxazepine
Property Insights of 8-Nitrobenzo[b][1,4]benzoxazepine
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Nitrobenzo[b][1,4]benzoxazepine. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Nitrobenzo[b][1,4]benzoxazepine. Following Lipinski's Rule of Five, 8-Nitrobenzo[b][1,4]benzoxazepine 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
What is the CAS number of 8-Nitrobenzo[b][1,4]benzoxazepine?
The CAS number of 8-Nitrobenzo[b][1,4]benzoxazepine is 16398-29-1.
What is the molecular formula of 8-Nitrobenzo[b][1,4]benzoxazepine?
The molecular formula of 8-Nitrobenzo[b][1,4]benzoxazepine is C13H8N2O3.
What is the molecular weight of 8-Nitrobenzo[b][1,4]benzoxazepine?
The molecular weight of 8-Nitrobenzo[b][1,4]benzoxazepine is 240.0535 g/mol.
Where can I buy 8-Nitrobenzo[b][1,4]benzoxazepine?
You can request a quote for 8-Nitrobenzo[b][1,4]benzoxazepine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 8-Nitrobenzo[b][1,4]benzoxazepine?
Yes, CoreyChem provides custom synthesis services for 8-Nitrobenzo[b][1,4]benzoxazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.