![3-(4-Methoxy-benzenesulfonyl)-1,3,5-triaza-bicyclo[3.2.1]octane structure](/static/products/878/878426-49-4.png)
3-(4-Methoxy-benzenesulfonyl)-1,3,5-triaza-bicyclo[3.2.1]octane
TL;DR: 3-(4-Methoxy-benzenesulfonyl)-1,3,5-triaza-bicyclo[3.2.1]octane (CAS 878426-49-4) is a chemical compound with molecular formula C12H17N3O3S and molecular weight 283.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methoxyphenyl)sulfonyl-1,3,5-triazabicyclo[3.2.1]octane
Also Known As: BAS 12967368, 3-(4-Methoxy-benzenesulfonyl)-1,3,5-triaza-bicyclo[3.2.1]octane, 3-(4-methoxyphenyl)sulfonyl-1,3,5-triazabicyclo[3.2.1]octane, 3-[(4-methoxyphenyl)sulfonyl]-1,3,5-triazabicyclo[3.2.1]octane, A4006/0170770
| Molecular Formula | C12H17N3O3S |
|---|---|
| Molecular Weight | 283.10 g/mol |
| LogP | 0.1896 |
| Topological Polar Surface Area | 53.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.09906 |
| Heavy Atoms | 19 |
| Complexity | 546.0873 |
Chemical Identifiers
| CAS Number | 878426-49-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)S(=O)(=O)N2CN3CCN(C3)C2 |
Product Overview
3-(4-Methoxy-benzenesulfonyl)-1,3,5-triaza-bicyclo[3.2.1]octane (CAS 878426-49-4), with molecular formula C12H17N3O3S and molecular weight 283.10 g/mol. IUPAC: 3-(4-methoxyphenyl)sulfonyl-1,3,5-triazabicyclo[3.2.1]octane.
Chemical Property Profile of 3-(4-Methoxy-benzenesulfonyl)-1,3,5-triaza-bicyclo[3.2.1]octane
Property Insights of 3-(4-Methoxy-benzenesulfonyl)-1,3,5-triaza-bicyclo[3.2.1]octane
The XLogP value of 0.1896 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Methoxy-benzenesulfonyl)-1,3,5-triaza-bicyclo[3.2.1]octane. With a topological polar surface area (TPSA) of 53.09 Ų, 3-(4-Methoxy-benzenesulfonyl)-1,3,5-triaza-bicyclo[3.2.1]octane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Methoxy-benzenesulfonyl)-1,3,5-triaza-bicyclo[3.2.1]octane 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-(4-Methoxy-benzenesulfonyl)-1,3,5-triaza-bicyclo[3.2.1]octane?
The CAS number of 3-(4-Methoxy-benzenesulfonyl)-1,3,5-triaza-bicyclo[3.2.1]octane is 878426-49-4.
What is the molecular formula of 3-(4-Methoxy-benzenesulfonyl)-1,3,5-triaza-bicyclo[3.2.1]octane?
The molecular formula of 3-(4-Methoxy-benzenesulfonyl)-1,3,5-triaza-bicyclo[3.2.1]octane is C12H17N3O3S.
What is the molecular weight of 3-(4-Methoxy-benzenesulfonyl)-1,3,5-triaza-bicyclo[3.2.1]octane?
The molecular weight of 3-(4-Methoxy-benzenesulfonyl)-1,3,5-triaza-bicyclo[3.2.1]octane is 283.10 g/mol.
Where can I buy 3-(4-Methoxy-benzenesulfonyl)-1,3,5-triaza-bicyclo[3.2.1]octane?
You can request a quote for 3-(4-Methoxy-benzenesulfonyl)-1,3,5-triaza-bicyclo[3.2.1]octane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Methoxy-benzenesulfonyl)-1,3,5-triaza-bicyclo[3.2.1]octane?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methoxy-benzenesulfonyl)-1,3,5-triaza-bicyclo[3.2.1]octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.