3-Butyl-7-((4-chloro-3-nitrophenyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane
TL;DR: 3-Butyl-7-((4-chloro-3-nitrophenyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane (CAS 120465-89-6) is a chemical compound with molecular formula C19H28ClN3O4S and molecular weight 429.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butyl-7-(4-chloro-3-nitrophenyl)sulfonyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane
Also Known As: 3-Butyl-7-((4-chloro-3-nitrophenyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane, 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-7-((4-chloro-3-nitrophenyl)sulfonyl)-9,9-dimethyl-, 7-butyl-3-(4-chloro-3-nitrophenyl)sulfonyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane, 3-Butyl-7-(4-chloro-3-nitrobenzene-1-sulfonyl)-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane, RefChem:272526
| Molecular Formula | C19H28ClN3O4S |
|---|---|
| Molecular Weight | 429.15 g/mol |
| LogP | 3.6268 |
| Topological Polar Surface Area | 83.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 429.1489 |
| Heavy Atoms | 28 |
| Complexity | 840.73474 |
Chemical Identifiers
| CAS Number | 120465-89-6 |
|---|---|
| SMILES | CCCCN1CC2CN(CC(C1)C2(C)C)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
3-Butyl-7-((4-chloro-3-nitrophenyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane (CAS 120465-89-6), with molecular formula C19H28ClN3O4S and molecular weight 429.15 g/mol. IUPAC: 3-butyl-7-(4-chloro-3-nitrophenyl)sulfonyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane.
Chemical Property Profile of 3-Butyl-7-((4-chloro-3-nitrophenyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane
Property Insights of 3-Butyl-7-((4-chloro-3-nitrophenyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane
The XLogP value of 3.6268 indicates that 3-Butyl-7-((4-chloro-3-nitrophenyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Butyl-7-((4-chloro-3-nitrophenyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane. Following Lipinski's Rule of Five, 3-Butyl-7-((4-chloro-3-nitrophenyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane has 0 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 3-Butyl-7-((4-chloro-3-nitrophenyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane?
The CAS number of 3-Butyl-7-((4-chloro-3-nitrophenyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane is 120465-89-6.
What is the molecular formula of 3-Butyl-7-((4-chloro-3-nitrophenyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane?
The molecular formula of 3-Butyl-7-((4-chloro-3-nitrophenyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane is C19H28ClN3O4S.
What is the molecular weight of 3-Butyl-7-((4-chloro-3-nitrophenyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane?
The molecular weight of 3-Butyl-7-((4-chloro-3-nitrophenyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane is 429.15 g/mol.
Where can I buy 3-Butyl-7-((4-chloro-3-nitrophenyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane?
You can request a quote for 3-Butyl-7-((4-chloro-3-nitrophenyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butyl-7-((4-chloro-3-nitrophenyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane?
Yes, KEHONG BIO provides custom synthesis services for 3-Butyl-7-((4-chloro-3-nitrophenyl)sulfonyl)-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.