3,7-Diazabicyclo(3.3.1)nonane, 9,9-dimethyl-3-((4-fluorophenyl)sulfonyl)-7-(phenylmethyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)
TL;DR: 3,7-Diazabicyclo(3.3.1)nonane, 9,9-dimethyl-3-((4-fluorophenyl)sulfonyl)-7-(phenylmethyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1) (CAS 120466-12-8) is a chemical compound with molecular formula C26H33FN2O8S and molecular weight 552.19415 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-benzyl-7-(4-fluorophenyl)sulfonyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane;(2R,3R)-2,3-dihydroxybutanedioic acid
Also Known As: 3,7-Diazabicyclo(3.3.1)nonane, 9,9-dimethyl-3-((4-fluorophenyl)sulfonyl)-7-(phenylmethyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1), (2R,3R)-2,3-Dihydroxybutanedioic acid--3-benzyl-7-(4-fluorobenzene-1-sulfonyl)-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane (1/1), 2,3-Dihydroxybutanedioic acid--3-benzyl-7-(4-fluorobenzene-1-sulfonyl)-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane (1/1), 7-benzyl-3-(4-fluorophenyl)sulfonyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane; (2R,3R)-2,3-dihydroxybutanedioic acid
Technical Specifications
| Molecular Formula | C26H33FN2O8S |
| Molecular Weight | 552.19415 g/mol |
| XLogP | 1.4818 |
| Topological Polar Surface Area (TPSA) | 164.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 552.19415 Da |
| Heavy Atoms | 38 |
| Complexity | 749.0 |
| SMILES | CC1(C2CN(CC1CN(C2)S(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=CC=C4)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O |
| InChIKey | FXYUFXJLNLGSDU-LREBCSMRSA-N |
Chemical Property Profile of 3,7-Diazabicyclo(3.3.1)nonane, 9,9-dimethyl-3-((4-fluorophenyl)sulfonyl)-7-(phenylmethyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)
Property Insights of 3,7-Diazabicyclo(3.3.1)nonane, 9,9-dimethyl-3-((4-fluorophenyl)sulfonyl)-7-(phenylmethyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)
The XLogP value of 1.4818 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7-Diazabicyclo(3.3.1)nonane, 9,9-dimethyl-3-((4-fluorophenyl)sulfonyl)-7-(phenylmethyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1). The TPSA of 164.0 Ų indicates high polarity, suggesting 3,7-Diazabicyclo(3.3.1)nonane, 9,9-dimethyl-3-((4-fluorophenyl)sulfonyl)-7-(phenylmethyl)-, (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, 9,9-dimethyl-3-((4-fluorophenyl)sulfonyl)-7-(phenylmethyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1) has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3,7-Diazabicyclo(3.3.1)nonane, 9,9-dimethyl-3-((4-fluorophenyl)sulfonyl)-7-(phenylmethyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)?
The CAS number of 3,7-Diazabicyclo(3.3.1)nonane, 9,9-dimethyl-3-((4-fluorophenyl)sulfonyl)-7-(phenylmethyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1) is 120466-12-8.
What is the molecular formula of 3,7-Diazabicyclo(3.3.1)nonane, 9,9-dimethyl-3-((4-fluorophenyl)sulfonyl)-7-(phenylmethyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)?
The molecular formula of 3,7-Diazabicyclo(3.3.1)nonane, 9,9-dimethyl-3-((4-fluorophenyl)sulfonyl)-7-(phenylmethyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1) is C26H33FN2O8S.
What is the molecular weight of 3,7-Diazabicyclo(3.3.1)nonane, 9,9-dimethyl-3-((4-fluorophenyl)sulfonyl)-7-(phenylmethyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)?
The molecular weight of 3,7-Diazabicyclo(3.3.1)nonane, 9,9-dimethyl-3-((4-fluorophenyl)sulfonyl)-7-(phenylmethyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1) is 552.19415 g/mol.
Where can I buy 3,7-Diazabicyclo(3.3.1)nonane, 9,9-dimethyl-3-((4-fluorophenyl)sulfonyl)-7-(phenylmethyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)?
You can request a quote for 3,7-Diazabicyclo(3.3.1)nonane, 9,9-dimethyl-3-((4-fluorophenyl)sulfonyl)-7-(phenylmethyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,7-Diazabicyclo(3.3.1)nonane, 9,9-dimethyl-3-((4-fluorophenyl)sulfonyl)-7-(phenylmethyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)?
Yes, CoreyChem provides custom synthesis services for 3,7-Diazabicyclo(3.3.1)nonane, 9,9-dimethyl-3-((4-fluorophenyl)sulfonyl)-7-(phenylmethyl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.