3,7-Diazabicyclo(3.3.1)nonane, 9,9-dimethyl-3-ethyl-7-(2-thienylsulfonyl)-
TL;DR: 3,7-Diazabicyclo(3.3.1)nonane, 9,9-dimethyl-3-ethyl-7-(2-thienylsulfonyl)- (CAS 120465-94-3) is a chemical compound with molecular formula C15H24N2O2S2 and molecular weight 328.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-9,9-dimethyl-7-thiophen-2-ylsulfonyl-3,7-diazabicyclo[3.3.1]nonane
Also Known As: 9,9-Dimethyl-3-ethyl-7-(2-thienylsulfonyl)-3,7-diazabicyclo(3.3.1)nonane, 3,7-Diazabicyclo(3.3.1)nonane, 9,9-dimethyl-3-ethyl-7-(2-thienylsulfonyl)-, 3-ETHYL-9,9-DIMETHYL-7-(THIOPHENE-2-SULFONYL)-3,7-DIAZABICYCLO[3.3.1]NONANE, 7-ethyl-9,9-dimethyl-3-thiophen-2-ylsulfonyl-3,7-diazabicyclo[3.3.1]nonane, RefChem:272540
| Molecular Formula | C15H24N2O2S2 |
|---|---|
| Molecular Weight | 328.13 g/mol |
| LogP | 2.3465 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.12793 |
| Heavy Atoms | 21 |
| Complexity | 577.19965 |
Chemical Identifiers
| CAS Number | 120465-94-3 |
|---|---|
| SMILES | CCN1CC2CN(CC(C1)C2(C)C)S(=O)(=O)C3=CC=CS3 |
Product Overview
3,7-Diazabicyclo(3.3.1)nonane, 9,9-dimethyl-3-ethyl-7-(2-thienylsulfonyl)- (CAS 120465-94-3), with molecular formula C15H24N2O2S2 and molecular weight 328.13 g/mol. IUPAC: 3-ethyl-9,9-dimethyl-7-thiophen-2-ylsulfonyl-3,7-diazabicyclo[3.3.1]nonane.
Chemical Property Profile of 3,7-Diazabicyclo(3.3.1)nonane, 9,9-dimethyl-3-ethyl-7-(2-thienylsulfonyl)-
Property Insights of 3,7-Diazabicyclo(3.3.1)nonane, 9,9-dimethyl-3-ethyl-7-(2-thienylsulfonyl)-
The XLogP value of 2.3465 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7-Diazabicyclo(3.3.1)nonane, 9,9-dimethyl-3-ethyl-7-(2-thienylsulfonyl)-. With a topological polar surface area (TPSA) of 40.62 Ų, 3,7-Diazabicyclo(3.3.1)nonane, 9,9-dimethyl-3-ethyl-7-(2-thienylsulfonyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Diazabicyclo(3.3.1)nonane, 9,9-dimethyl-3-ethyl-7-(2-thienylsulfonyl)- has 0 hydrogen bond donor(s) and 4 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, 9,9-dimethyl-3-ethyl-7-(2-thienylsulfonyl)-?
The CAS number of 3,7-Diazabicyclo(3.3.1)nonane, 9,9-dimethyl-3-ethyl-7-(2-thienylsulfonyl)- is 120465-94-3.
What is the molecular formula of 3,7-Diazabicyclo(3.3.1)nonane, 9,9-dimethyl-3-ethyl-7-(2-thienylsulfonyl)-?
The molecular formula of 3,7-Diazabicyclo(3.3.1)nonane, 9,9-dimethyl-3-ethyl-7-(2-thienylsulfonyl)- is C15H24N2O2S2.
What is the molecular weight of 3,7-Diazabicyclo(3.3.1)nonane, 9,9-dimethyl-3-ethyl-7-(2-thienylsulfonyl)-?
The molecular weight of 3,7-Diazabicyclo(3.3.1)nonane, 9,9-dimethyl-3-ethyl-7-(2-thienylsulfonyl)- is 328.13 g/mol.
Where can I buy 3,7-Diazabicyclo(3.3.1)nonane, 9,9-dimethyl-3-ethyl-7-(2-thienylsulfonyl)-?
You can request a quote for 3,7-Diazabicyclo(3.3.1)nonane, 9,9-dimethyl-3-ethyl-7-(2-thienylsulfonyl)- 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, 9,9-dimethyl-3-ethyl-7-(2-thienylsulfonyl)-?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Diazabicyclo(3.3.1)nonane, 9,9-dimethyl-3-ethyl-7-(2-thienylsulfonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.