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2-Nitro-10,11-dihydrodibenzo[b,f][1,4]oxazepine
TL;DR: 2-Nitro-10,11-dihydrodibenzo[b,f][1,4]oxazepine (CAS 16398-30-4) is a chemical compound with molecular formula C13H10N2O3 and molecular weight 242.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-nitro-5,6-dihydrobenzo[b][1,4]benzoxazepine
Also Known As: 2-nitro-10,11-dihydrodibenzo[b,f][1,4]oxazepine, 8-nitro-5,6-dihydrobenzo[b][1,4]benzoxazepine, 13-nitro-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene, Dibenz[b,f][1,4]oxazepine, 10,11-dihydro-2-nitro-
| Molecular Formula | C13H10N2O3 |
|---|---|
| Molecular Weight | 242.07 g/mol |
| LogP | 3.3126 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 242.06914 |
| Heavy Atoms | 18 |
| Complexity | 625.3835 |
Chemical Identifiers
| CAS Number | 16398-30-4 |
|---|---|
| SMILES | C1C2=C(C=CC(=C2)[N+](=O)[O-])OC3=CC=CC=C3N1 |
Product Overview
2-Nitro-10,11-dihydrodibenzo[b,f][1,4]oxazepine (CAS 16398-30-4), with molecular formula C13H10N2O3 and molecular weight 242.07 g/mol. IUPAC: 8-nitro-5,6-dihydrobenzo[b][1,4]benzoxazepine.
Chemical Property Profile of 2-Nitro-10,11-dihydrodibenzo[b,f][1,4]oxazepine
Property Insights of 2-Nitro-10,11-dihydrodibenzo[b,f][1,4]oxazepine
The XLogP value of 3.3126 indicates that 2-Nitro-10,11-dihydrodibenzo[b,f][1,4]oxazepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitro-10,11-dihydrodibenzo[b,f][1,4]oxazepine. Following Lipinski's Rule of Five, 2-Nitro-10,11-dihydrodibenzo[b,f][1,4]oxazepine has 1 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 2-Nitro-10,11-dihydrodibenzo[b,f][1,4]oxazepine?
The CAS number of 2-Nitro-10,11-dihydrodibenzo[b,f][1,4]oxazepine is 16398-30-4.
What is the molecular formula of 2-Nitro-10,11-dihydrodibenzo[b,f][1,4]oxazepine?
The molecular formula of 2-Nitro-10,11-dihydrodibenzo[b,f][1,4]oxazepine is C13H10N2O3.
What is the molecular weight of 2-Nitro-10,11-dihydrodibenzo[b,f][1,4]oxazepine?
The molecular weight of 2-Nitro-10,11-dihydrodibenzo[b,f][1,4]oxazepine is 242.07 g/mol.
Where can I buy 2-Nitro-10,11-dihydrodibenzo[b,f][1,4]oxazepine?
You can request a quote for 2-Nitro-10,11-dihydrodibenzo[b,f][1,4]oxazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitro-10,11-dihydrodibenzo[b,f][1,4]oxazepine?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitro-10,11-dihydrodibenzo[b,f][1,4]oxazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.