7-Acetamido-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine
TL;DR: 7-Acetamido-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine (CAS 359-41-1) is a chemical compound with molecular formula C11H12N2O5 and molecular weight 252.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide
Also Known As: 7-ACETAMIDO-8-NITRO-3,4-DIHYDRO-2H-1,5-BENZODIOXEPINE, N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide, N-(8-Nitro-3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)acetamide, 6470AJ, Z-3923
| Molecular Formula | C11H12N2O5 |
|---|---|
| Molecular Weight | 252.07 g/mol |
| LogP | 1.7145 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.07462 |
| Heavy Atoms | 18 |
| Complexity | 500.4521 |
Chemical Identifiers
| CAS Number | 359-41-1 |
|---|---|
| SMILES | CC(=O)NC1=CC2=C(C=C1[N+](=O)[O-])OCCCO2 |
Product Overview
7-Acetamido-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine (CAS 359-41-1), with molecular formula C11H12N2O5 and molecular weight 252.07 g/mol. IUPAC: N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide.
Chemical Property Profile of 7-Acetamido-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine
Property Insights of 7-Acetamido-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine
The XLogP value of 1.7145 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Acetamido-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Acetamido-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine. Following Lipinski's Rule of Five, 7-Acetamido-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine has 1 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 7-Acetamido-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine?
The CAS number of 7-Acetamido-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine is 359-41-1.
What is the molecular formula of 7-Acetamido-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine?
The molecular formula of 7-Acetamido-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine is C11H12N2O5.
What is the molecular weight of 7-Acetamido-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine?
The molecular weight of 7-Acetamido-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine is 252.07 g/mol.
Where can I buy 7-Acetamido-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine?
You can request a quote for 7-Acetamido-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Acetamido-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine?
Yes, KEHONG BIO provides custom synthesis services for 7-Acetamido-8-nitro-3,4-dihydro-2H-1,5-benzodioxepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.