3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((2,5-dimethylphenyl)sulfonyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:3)
TL;DR: 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((2,5-dimethylphenyl)sulfonyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:3) (CAS 120465-65-8) is a chemical compound with molecular formula C54H86N4O22S2 and molecular weight 1206.52 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(3-butyl-7-(2,5-dimethylphenyl)sulfonyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane);tris((2R,3R)-2,3-dihydroxybutanedioic acid)
Also Known As: 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((2,5-dimethylphenyl)sulfonyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:3), 7-butyl-3-(2,5-dimethylphenyl)sulfonyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane; (2R,3R)-2,3-dihydroxybutanedioic acid, RefChem:1066125
| Molecular Formula | C54H86N4O22S2 |
|---|---|
| Molecular Weight | 1206.52 g/mol |
| LogP | 0.99628 |
| Topological Polar Surface Area | 426.42 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 19 |
| Exact Mass | 1206.5175 |
| Heavy Atoms | 82 |
| Complexity | 2437.3167 |
Chemical Identifiers
| CAS Number | 120465-65-8 |
|---|---|
| SMILES | CCCCN1CC2CN(CC(C1)C2(C)C)S(=O)(=O)C3=C(C=CC(=C3)C)C.CCCCN1CC2CN(CC(C1)C2(C)C)S(=O)(=O)C3=C(C=CC(=C3)C)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O |
Product Overview
3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((2,5-dimethylphenyl)sulfonyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:3) (CAS 120465-65-8), with molecular formula C54H86N4O22S2 and molecular weight 1206.52 g/mol. IUPAC: bis(3-butyl-7-(2,5-dimethylphenyl)sulfonyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane);tris((2R,3R)-2,3-dihydroxybutanedioic acid).
Chemical Property Profile of 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((2,5-dimethylphenyl)sulfonyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:3)
Property Insights of 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((2,5-dimethylphenyl)sulfonyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:3)
The XLogP value of 0.99628 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((2,5-dimethylphenyl)sulfonyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:3). The TPSA of 426.42 Ų indicates high polarity, suggesting 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((2,5-dimethylphenyl)sulfonyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:3) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((2,5-dimethylphenyl)sulfonyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:3) has 12 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
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-((2,5-dimethylphenyl)sulfonyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:3)?
The CAS number of 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((2,5-dimethylphenyl)sulfonyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:3) is 120465-65-8.
What is the molecular formula of 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((2,5-dimethylphenyl)sulfonyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:3)?
The molecular formula of 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((2,5-dimethylphenyl)sulfonyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:3) is C54H86N4O22S2.
What is the molecular weight of 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((2,5-dimethylphenyl)sulfonyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:3)?
The molecular weight of 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((2,5-dimethylphenyl)sulfonyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:3) is 1206.52 g/mol.
Where can I buy 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((2,5-dimethylphenyl)sulfonyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:3)?
You can request a quote for 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((2,5-dimethylphenyl)sulfonyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:3) 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-((2,5-dimethylphenyl)sulfonyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:3)?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((2,5-dimethylphenyl)sulfonyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:3) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.