3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((2-phenylethyl)sulfonyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)
TL;DR: 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((2-phenylethyl)sulfonyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1) (CAS 120465-61-4) is a chemical compound with molecular formula C25H40N2O8S and molecular weight 528.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butyl-9,9-dimethyl-7-(2-phenylethylsulfonyl)-3,7-diazabicyclo[3.3.1]nonane;(2R,3R)-2,3-dihydroxybutanedioic acid
Also Known As: 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((2-phenylethyl)sulfonyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1), (2R,3R)-2,3-Dihydroxybutanedioic acid--3-butyl-9,9-dimethyl-7-(2-phenylethanesulfonyl)-3,7-diazabicyclo[3.3.1]nonane (1/1), 2,3-Dihydroxybutanedioic acid--3-butyl-9,9-dimethyl-7-(2-phenylethanesulfonyl)-3,7-diazabicyclo[3.3.1]nonane (1/1), 7-butyl-9,9-dimethyl-3-phenethylsulfonyl-3,7-diazabicyclo[3.3.1]nonane; (2R,3R)-2,3-dihydroxybutanedioic acid, RefChem:272530
| Molecular Formula | C25H40N2O8S |
|---|---|
| Molecular Weight | 528.25 g/mol |
| LogP | 1.1262 |
| Topological Polar Surface Area | 155.68 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 528.25055 |
| Heavy Atoms | 36 |
| Complexity | 933.5311 |
Chemical Identifiers
| CAS Number | 120465-61-4 |
|---|---|
| SMILES | CCCCN1CC2CN(CC(C1)C2(C)C)S(=O)(=O)CCC3=CC=CC=C3.[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-phenylethyl)sulfonyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1) (CAS 120465-61-4), with molecular formula C25H40N2O8S and molecular weight 528.25 g/mol. IUPAC: 3-butyl-9,9-dimethyl-7-(2-phenylethylsulfonyl)-3,7-diazabicyclo[3.3.1]nonane;(2R,3R)-2,3-dihydroxybutanedioic acid.
Chemical Property Profile of 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((2-phenylethyl)sulfonyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)
Property Insights of 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((2-phenylethyl)sulfonyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)
The XLogP value of 1.1262 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((2-phenylethyl)sulfonyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1). The TPSA of 155.68 Ų indicates high polarity, suggesting 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((2-phenylethyl)sulfonyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1) 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-phenylethyl)sulfonyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1) has 4 hydrogen bond donor(s) and 7 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-phenylethyl)sulfonyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)?
The CAS number of 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((2-phenylethyl)sulfonyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1) is 120465-61-4.
What is the molecular formula of 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((2-phenylethyl)sulfonyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)?
The molecular formula of 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((2-phenylethyl)sulfonyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1) is C25H40N2O8S.
What is the molecular weight of 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((2-phenylethyl)sulfonyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)?
The molecular weight of 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((2-phenylethyl)sulfonyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1) is 528.25 g/mol.
Where can I buy 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((2-phenylethyl)sulfonyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)?
You can request a quote for 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((2-phenylethyl)sulfonyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1) 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-phenylethyl)sulfonyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Diazabicyclo(3.3.1)nonane, 3-butyl-9,9-dimethyl-7-((2-phenylethyl)sulfonyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.