![4-methyl-N-{[2-nitrodibenzo[b,f][1,4]oxazepin-10(11H)-yl]carbonyl}benzenesulfonamide structure](/static/products/866/866157-22-4.png)
4-methyl-N-{[2-nitrodibenzo[b,f][1,4]oxazepin-10(11H)-yl]carbonyl}benzenesulfonamide
TL;DR: 4-methyl-N-{[2-nitrodibenzo[b,f][1,4]oxazepin-10(11H)-yl]carbonyl}benzenesulfonamide (CAS 866157-22-4) is a chemical compound with molecular formula C21H17N3O6S and molecular weight 439.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methylphenyl)sulfonyl-8-nitro-6H-benzo[b][1,4]benzoxazepine-5-carboxamide
Also Known As: 4-methyl-N-{[2-nitrodibenzo[b,f][1,4]oxazepin-10(11H)-yl]carbonyl}benzenesulfonamide, N-(4-methylphenyl)sulfonyl-8-nitro-6H-benzo[b][1,4]benzoxazepine-5-carboxamide, N-(4-methylbenzenesulfonyl)-13-nitro-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaene-9-carboxamide
| Molecular Formula | C21H17N3O6S |
|---|---|
| Molecular Weight | 439.08 g/mol |
| LogP | 4.11402 |
| Topological Polar Surface Area | 118.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 439.0838 |
| Heavy Atoms | 31 |
| Complexity | 1288.7222 |
Chemical Identifiers
| CAS Number | 866157-22-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CC3=C(C=CC(=C3)[N+](=O)[O-])OC4=CC=CC=C42 |
Product Overview
4-methyl-N-{[2-nitrodibenzo[b,f][1,4]oxazepin-10(11H)-yl]carbonyl}benzenesulfonamide (CAS 866157-22-4), with molecular formula C21H17N3O6S and molecular weight 439.08 g/mol. IUPAC: N-(4-methylphenyl)sulfonyl-8-nitro-6H-benzo[b][1,4]benzoxazepine-5-carboxamide.
Chemical Property Profile of 4-methyl-N-{[2-nitrodibenzo[b,f][1,4]oxazepin-10(11H)-yl]carbonyl}benzenesulfonamide
Property Insights of 4-methyl-N-{[2-nitrodibenzo[b,f][1,4]oxazepin-10(11H)-yl]carbonyl}benzenesulfonamide
The XLogP value of 4.11402 indicates that 4-methyl-N-{[2-nitrodibenzo[b,f][1,4]oxazepin-10(11H)-yl]carbonyl}benzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methyl-N-{[2-nitrodibenzo[b,f][1,4]oxazepin-10(11H)-yl]carbonyl}benzenesulfonamide. Following Lipinski's Rule of Five, 4-methyl-N-{[2-nitrodibenzo[b,f][1,4]oxazepin-10(11H)-yl]carbonyl}benzenesulfonamide has 1 hydrogen bond donor(s) and 6 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 4-methyl-N-{[2-nitrodibenzo[b,f][1,4]oxazepin-10(11H)-yl]carbonyl}benzenesulfonamide?
The CAS number of 4-methyl-N-{[2-nitrodibenzo[b,f][1,4]oxazepin-10(11H)-yl]carbonyl}benzenesulfonamide is 866157-22-4.
What is the molecular formula of 4-methyl-N-{[2-nitrodibenzo[b,f][1,4]oxazepin-10(11H)-yl]carbonyl}benzenesulfonamide?
The molecular formula of 4-methyl-N-{[2-nitrodibenzo[b,f][1,4]oxazepin-10(11H)-yl]carbonyl}benzenesulfonamide is C21H17N3O6S.
What is the molecular weight of 4-methyl-N-{[2-nitrodibenzo[b,f][1,4]oxazepin-10(11H)-yl]carbonyl}benzenesulfonamide?
The molecular weight of 4-methyl-N-{[2-nitrodibenzo[b,f][1,4]oxazepin-10(11H)-yl]carbonyl}benzenesulfonamide is 439.08 g/mol.
Where can I buy 4-methyl-N-{[2-nitrodibenzo[b,f][1,4]oxazepin-10(11H)-yl]carbonyl}benzenesulfonamide?
You can request a quote for 4-methyl-N-{[2-nitrodibenzo[b,f][1,4]oxazepin-10(11H)-yl]carbonyl}benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methyl-N-{[2-nitrodibenzo[b,f][1,4]oxazepin-10(11H)-yl]carbonyl}benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-N-{[2-nitrodibenzo[b,f][1,4]oxazepin-10(11H)-yl]carbonyl}benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.