![methyl 2-{[2-nitrodibenzo[b,f][1,4]oxazepin-10(11H)-yl]sulfonyl}benzenecarboxylate structure](/static/products/866/866157-21-3.png)
methyl 2-{[2-nitrodibenzo[b,f][1,4]oxazepin-10(11H)-yl]sulfonyl}benzenecarboxylate
TL;DR: methyl 2-{[2-nitrodibenzo[b,f][1,4]oxazepin-10(11H)-yl]sulfonyl}benzenecarboxylate (CAS 866157-21-3) is a chemical compound with molecular formula C21H16N2O7S and molecular weight 440.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(8-nitro-6H-benzo[b][1,4]benzoxazepin-5-yl)sulfonyl]benzoate
Also Known As: methyl 2-{[2-nitrodibenzo[b,f][1,4]oxazepin-10(11H)-yl]sulfonyl}benzenecarboxylate, methyl 2-[(8-nitro-6H-benzo[b][1,4]benzoxazepin-5-yl)sulfonyl]benzoate, methyl 2-({13-nitro-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-9-yl}sulfonyl)benzoate, methyl 2-{13-nitro-2-oxa-9-azatricyclo[9.4.0.0(3),?]pentadeca-1(11),3(8),4,6,12,14-hexaen-9-ylsulfonyl}benzoate, methyl2-({13-nitro-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-9-yl}sulfonyl)benzoate
| Molecular Formula | C21H16N2O7S |
|---|---|
| Molecular Weight | 440.07 g/mol |
| LogP | 3.8826 |
| Topological Polar Surface Area | 116.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 440.0678 |
| Heavy Atoms | 31 |
| Complexity | 1304.5853 |
Chemical Identifiers
| CAS Number | 866157-21-3 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1S(=O)(=O)N2CC3=C(C=CC(=C3)[N+](=O)[O-])OC4=CC=CC=C42 |
Product Overview
methyl 2-{[2-nitrodibenzo[b,f][1,4]oxazepin-10(11H)-yl]sulfonyl}benzenecarboxylate (CAS 866157-21-3), with molecular formula C21H16N2O7S and molecular weight 440.07 g/mol. IUPAC: methyl 2-[(8-nitro-6H-benzo[b][1,4]benzoxazepin-5-yl)sulfonyl]benzoate.
Chemical Property Profile of methyl 2-{[2-nitrodibenzo[b,f][1,4]oxazepin-10(11H)-yl]sulfonyl}benzenecarboxylate
Property Insights of methyl 2-{[2-nitrodibenzo[b,f][1,4]oxazepin-10(11H)-yl]sulfonyl}benzenecarboxylate
The XLogP value of 3.8826 indicates that methyl 2-{[2-nitrodibenzo[b,f][1,4]oxazepin-10(11H)-yl]sulfonyl}benzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.05 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-{[2-nitrodibenzo[b,f][1,4]oxazepin-10(11H)-yl]sulfonyl}benzenecarboxylate. Following Lipinski's Rule of Five, methyl 2-{[2-nitrodibenzo[b,f][1,4]oxazepin-10(11H)-yl]sulfonyl}benzenecarboxylate has 0 hydrogen bond donor(s) and 7 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 methyl 2-{[2-nitrodibenzo[b,f][1,4]oxazepin-10(11H)-yl]sulfonyl}benzenecarboxylate?
The CAS number of methyl 2-{[2-nitrodibenzo[b,f][1,4]oxazepin-10(11H)-yl]sulfonyl}benzenecarboxylate is 866157-21-3.
What is the molecular formula of methyl 2-{[2-nitrodibenzo[b,f][1,4]oxazepin-10(11H)-yl]sulfonyl}benzenecarboxylate?
The molecular formula of methyl 2-{[2-nitrodibenzo[b,f][1,4]oxazepin-10(11H)-yl]sulfonyl}benzenecarboxylate is C21H16N2O7S.
What is the molecular weight of methyl 2-{[2-nitrodibenzo[b,f][1,4]oxazepin-10(11H)-yl]sulfonyl}benzenecarboxylate?
The molecular weight of methyl 2-{[2-nitrodibenzo[b,f][1,4]oxazepin-10(11H)-yl]sulfonyl}benzenecarboxylate is 440.07 g/mol.
Where can I buy methyl 2-{[2-nitrodibenzo[b,f][1,4]oxazepin-10(11H)-yl]sulfonyl}benzenecarboxylate?
You can request a quote for methyl 2-{[2-nitrodibenzo[b,f][1,4]oxazepin-10(11H)-yl]sulfonyl}benzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-{[2-nitrodibenzo[b,f][1,4]oxazepin-10(11H)-yl]sulfonyl}benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-{[2-nitrodibenzo[b,f][1,4]oxazepin-10(11H)-yl]sulfonyl}benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.