![1-[2-[[2-[4-(Aminosulfonyl)phenyl]ethyl]amino]-2-oxoethyl]-4-aza-1-azoniabicyclo[2.2.2]octane structure](/static/products/1025/1025555-35-4.webp)
1-[2-[[2-[4-(Aminosulfonyl)phenyl]ethyl]amino]-2-oxoethyl]-4-aza-1-azoniabicyclo[2.2.2]octane
TL;DR: 1-[2-[[2-[4-(Aminosulfonyl)phenyl]ethyl]amino]-2-oxoethyl]-4-aza-1-azoniabicyclo[2.2.2]octane (CAS 1025555-35-4) is a chemical compound with molecular formula C16H25N4O3S+ and molecular weight 353.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
Also Known As: 1-[2-[[2-[4-(Aminosulfonyl)phenyl]ethyl]amino]-2-oxoethyl]-4-aza-1-azoniabicyclo[2.2.2]octane, 1-(2-Oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)-1,4-diazabicyclo[2.2.2]octan-1-ium, 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
| Molecular Formula | C16H25N4O3S+ |
|---|---|
| Molecular Weight | 353.16 g/mol |
| LogP | -0.8613 |
| Topological Polar Surface Area | 92.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 353.16473 |
| Heavy Atoms | 24 |
| Complexity | 680.7632 |
Chemical Identifiers
| CAS Number | 1025555-35-4 |
|---|---|
| SMILES | C1C[N+]2(CCN1CC2)CC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N |
Product Overview
1-[2-[[2-[4-(Aminosulfonyl)phenyl]ethyl]amino]-2-oxoethyl]-4-aza-1-azoniabicyclo[2.2.2]octane (CAS 1025555-35-4), with molecular formula C16H25N4O3S+ and molecular weight 353.16 g/mol. IUPAC: 2-(4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
Chemical Property Profile of 1-[2-[[2-[4-(Aminosulfonyl)phenyl]ethyl]amino]-2-oxoethyl]-4-aza-1-azoniabicyclo[2.2.2]octane
Property Insights of 1-[2-[[2-[4-(Aminosulfonyl)phenyl]ethyl]amino]-2-oxoethyl]-4-aza-1-azoniabicyclo[2.2.2]octane
The XLogP value of -0.8613 indicates that 1-[2-[[2-[4-(Aminosulfonyl)phenyl]ethyl]amino]-2-oxoethyl]-4-aza-1-azoniabicyclo[2.2.2]octane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 92.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[2-[[2-[4-(Aminosulfonyl)phenyl]ethyl]amino]-2-oxoethyl]-4-aza-1-azoniabicyclo[2.2.2]octane. Following Lipinski's Rule of Five, 1-[2-[[2-[4-(Aminosulfonyl)phenyl]ethyl]amino]-2-oxoethyl]-4-aza-1-azoniabicyclo[2.2.2]octane has 2 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 1-[2-[[2-[4-(Aminosulfonyl)phenyl]ethyl]amino]-2-oxoethyl]-4-aza-1-azoniabicyclo[2.2.2]octane?
The CAS number of 1-[2-[[2-[4-(Aminosulfonyl)phenyl]ethyl]amino]-2-oxoethyl]-4-aza-1-azoniabicyclo[2.2.2]octane is 1025555-35-4.
What is the molecular formula of 1-[2-[[2-[4-(Aminosulfonyl)phenyl]ethyl]amino]-2-oxoethyl]-4-aza-1-azoniabicyclo[2.2.2]octane?
The molecular formula of 1-[2-[[2-[4-(Aminosulfonyl)phenyl]ethyl]amino]-2-oxoethyl]-4-aza-1-azoniabicyclo[2.2.2]octane is C16H25N4O3S+.
What is the molecular weight of 1-[2-[[2-[4-(Aminosulfonyl)phenyl]ethyl]amino]-2-oxoethyl]-4-aza-1-azoniabicyclo[2.2.2]octane?
The molecular weight of 1-[2-[[2-[4-(Aminosulfonyl)phenyl]ethyl]amino]-2-oxoethyl]-4-aza-1-azoniabicyclo[2.2.2]octane is 353.16 g/mol.
Where can I buy 1-[2-[[2-[4-(Aminosulfonyl)phenyl]ethyl]amino]-2-oxoethyl]-4-aza-1-azoniabicyclo[2.2.2]octane?
You can request a quote for 1-[2-[[2-[4-(Aminosulfonyl)phenyl]ethyl]amino]-2-oxoethyl]-4-aza-1-azoniabicyclo[2.2.2]octane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2-[[2-[4-(Aminosulfonyl)phenyl]ethyl]amino]-2-oxoethyl]-4-aza-1-azoniabicyclo[2.2.2]octane?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-[[2-[4-(Aminosulfonyl)phenyl]ethyl]amino]-2-oxoethyl]-4-aza-1-azoniabicyclo[2.2.2]octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.