![Hexahydro-1-[(5-nitro-1-naphthalenyl)sulfonyl]-1H-azepine structure](/static/products/4007/400745-83-7.webp)
Hexahydro-1-[(5-nitro-1-naphthalenyl)sulfonyl]-1H-azepine
TL;DR: Hexahydro-1-[(5-nitro-1-naphthalenyl)sulfonyl]-1H-azepine (CAS 400745-83-7) is a chemical compound with molecular formula C16H18N2O4S and molecular weight 334.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-nitronaphthalen-1-yl)sulfonylazepane
Also Known As: 1-(5-nitronaphthalen-1-yl)sulfonylazepane, 1-(5-Nitronaphthalene-1-sulfonyl)azepane, Hexahydro-1-[(5-nitro-1-naphthalenyl)sulfonyl]-1H-azepine
| Molecular Formula | C16H18N2O4S |
|---|---|
| Molecular Weight | 334.10 g/mol |
| LogP | 3.3127 |
| Topological Polar Surface Area | 80.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 334.09872 |
| Heavy Atoms | 23 |
| Complexity | 840.2791 |
Chemical Identifiers
| CAS Number | 400745-83-7 |
|---|---|
| SMILES | C1CCCN(CC1)S(=O)(=O)C2=CC=CC3=C2C=CC=C3[N+](=O)[O-] |
Product Overview
Hexahydro-1-[(5-nitro-1-naphthalenyl)sulfonyl]-1H-azepine (CAS 400745-83-7), with molecular formula C16H18N2O4S and molecular weight 334.10 g/mol. IUPAC: 1-(5-nitronaphthalen-1-yl)sulfonylazepane.
Chemical Property Profile of Hexahydro-1-[(5-nitro-1-naphthalenyl)sulfonyl]-1H-azepine
Property Insights of Hexahydro-1-[(5-nitro-1-naphthalenyl)sulfonyl]-1H-azepine
The XLogP value of 3.3127 indicates that Hexahydro-1-[(5-nitro-1-naphthalenyl)sulfonyl]-1H-azepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.52 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexahydro-1-[(5-nitro-1-naphthalenyl)sulfonyl]-1H-azepine. Following Lipinski's Rule of Five, Hexahydro-1-[(5-nitro-1-naphthalenyl)sulfonyl]-1H-azepine 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
Frequently Asked Questions
What is the CAS number of Hexahydro-1-[(5-nitro-1-naphthalenyl)sulfonyl]-1H-azepine?
The CAS number of Hexahydro-1-[(5-nitro-1-naphthalenyl)sulfonyl]-1H-azepine is 400745-83-7.
What is the molecular formula of Hexahydro-1-[(5-nitro-1-naphthalenyl)sulfonyl]-1H-azepine?
The molecular formula of Hexahydro-1-[(5-nitro-1-naphthalenyl)sulfonyl]-1H-azepine is C16H18N2O4S.
What is the molecular weight of Hexahydro-1-[(5-nitro-1-naphthalenyl)sulfonyl]-1H-azepine?
The molecular weight of Hexahydro-1-[(5-nitro-1-naphthalenyl)sulfonyl]-1H-azepine is 334.10 g/mol.
Where can I buy Hexahydro-1-[(5-nitro-1-naphthalenyl)sulfonyl]-1H-azepine?
You can request a quote for Hexahydro-1-[(5-nitro-1-naphthalenyl)sulfonyl]-1H-azepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexahydro-1-[(5-nitro-1-naphthalenyl)sulfonyl]-1H-azepine?
Yes, KEHONG BIO provides custom synthesis services for Hexahydro-1-[(5-nitro-1-naphthalenyl)sulfonyl]-1H-azepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.