3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((4-nitrophenyl)sulfonyl)-, monohydrochloride
TL;DR: 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((4-nitrophenyl)sulfonyl)-, monohydrochloride (CAS 120465-86-3) is a chemical compound with molecular formula C19H30ClN3O4S and molecular weight 431.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butyl-9,9-dimethyl-7-(4-nitrophenyl)sulfonyl-3,7-diazabicyclo[3.3.1]nonane;hydrochloride
Also Known As: 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((4-nitrophenyl)sulfonyl)-, monohydrochloride, 7-butyl-9,9-dimethyl-3-(4-nitrophenyl)sulfonyl-3,7-diazabicyclo[3.3.1]nonane Hydrochloride, 3-Butyl-9,9-dimethyl-7-(4-nitrobenzene-1-sulfonyl)-3,7-diazabicyclo[3.3.1]nonane--hydrogen chloride (1/1), RefChem:272533
| Molecular Formula | C19H30ClN3O4S |
|---|---|
| Molecular Weight | 431.16 g/mol |
| LogP | 3.3952 |
| Topological Polar Surface Area | 83.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 431.16455 |
| Heavy Atoms | 28 |
| Complexity | 779.9017 |
Chemical Identifiers
| CAS Number | 120465-86-3 |
|---|---|
| SMILES | CCCCN1CC2CN(CC(C1)C2(C)C)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-].Cl |
Product Overview
3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((4-nitrophenyl)sulfonyl)-, monohydrochloride (CAS 120465-86-3), with molecular formula C19H30ClN3O4S and molecular weight 431.16 g/mol. IUPAC: 3-butyl-9,9-dimethyl-7-(4-nitrophenyl)sulfonyl-3,7-diazabicyclo[3.3.1]nonane;hydrochloride.
Chemical Property Profile of 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((4-nitrophenyl)sulfonyl)-, monohydrochloride
Property Insights of 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((4-nitrophenyl)sulfonyl)-, monohydrochloride
The XLogP value of 3.3952 indicates that 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((4-nitrophenyl)sulfonyl)-, monohydrochloride 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 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((4-nitrophenyl)sulfonyl)-, monohydrochloride. Following Lipinski's Rule of Five, 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((4-nitrophenyl)sulfonyl)-, monohydrochloride 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 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((4-nitrophenyl)sulfonyl)-, monohydrochloride?
The CAS number of 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((4-nitrophenyl)sulfonyl)-, monohydrochloride is 120465-86-3.
What is the molecular formula of 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((4-nitrophenyl)sulfonyl)-, monohydrochloride?
The molecular formula of 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((4-nitrophenyl)sulfonyl)-, monohydrochloride is C19H30ClN3O4S.
What is the molecular weight of 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((4-nitrophenyl)sulfonyl)-, monohydrochloride?
The molecular weight of 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((4-nitrophenyl)sulfonyl)-, monohydrochloride is 431.16 g/mol.
Where can I buy 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((4-nitrophenyl)sulfonyl)-, monohydrochloride?
You can request a quote for 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((4-nitrophenyl)sulfonyl)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((4-nitrophenyl)sulfonyl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((4-nitrophenyl)sulfonyl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.