![3-(4-Chlorophenyl)sulfonyl-1,3,5-triazabicyclo[3.2.1]octane structure](/static/products/6966/696650-63-2.webp)
3-(4-Chlorophenyl)sulfonyl-1,3,5-triazabicyclo[3.2.1]octane
TL;DR: 3-(4-Chlorophenyl)sulfonyl-1,3,5-triazabicyclo[3.2.1]octane (CAS 696650-63-2) is a chemical compound with molecular formula C11H14ClN3O2S and molecular weight 287.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)sulfonyl-1,3,5-triazabicyclo[3.2.1]octane
Also Known As: BAS 06970455, 3-(4-chlorophenyl)sulfonyl-1,3,5-triazabicyclo[3.2.1]octane, 3-((4-chlorophenyl)sulfonyl)-1,3,5-triazabicyclo[3.2.1]octane, 3-(4-Chloro-benzenesulfonyl)-1,3,5-triaza-bicyclo[3.2.1]octane, 3-[(4-chlorophenyl)sulfonyl]-1,3,5-triazabicyclo[3.2.1]octane
| Molecular Formula | C11H14ClN3O2S |
|---|---|
| Molecular Weight | 287.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 52.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.04953 |
| Heavy Atoms | 18 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 696650-63-2 |
|---|---|
| SMILES | C1CN2CN1CN(C2)S(=O)(=O)C3=CC=C(C=C3)Cl |
| InChIKey | NCANXSRQGZTDKV-UHFFFAOYSA-N |
Product Overview
3-(4-Chlorophenyl)sulfonyl-1,3,5-triazabicyclo[3.2.1]octane (CAS 696650-63-2), with molecular formula C11H14ClN3O2S and molecular weight 287.05 g/mol. IUPAC: 3-(4-chlorophenyl)sulfonyl-1,3,5-triazabicyclo[3.2.1]octane.
Chemical Property Profile of 3-(4-Chlorophenyl)sulfonyl-1,3,5-triazabicyclo[3.2.1]octane
Property Insights of 3-(4-Chlorophenyl)sulfonyl-1,3,5-triazabicyclo[3.2.1]octane
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Chlorophenyl)sulfonyl-1,3,5-triazabicyclo[3.2.1]octane. With a topological polar surface area (TPSA) of 52.2 Ų, 3-(4-Chlorophenyl)sulfonyl-1,3,5-triazabicyclo[3.2.1]octane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Chlorophenyl)sulfonyl-1,3,5-triazabicyclo[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-Chlorophenyl)sulfonyl-1,3,5-triazabicyclo[3.2.1]octane?
The CAS number of 3-(4-Chlorophenyl)sulfonyl-1,3,5-triazabicyclo[3.2.1]octane is 696650-63-2.
What is the molecular formula of 3-(4-Chlorophenyl)sulfonyl-1,3,5-triazabicyclo[3.2.1]octane?
The molecular formula of 3-(4-Chlorophenyl)sulfonyl-1,3,5-triazabicyclo[3.2.1]octane is C11H14ClN3O2S.
What is the molecular weight of 3-(4-Chlorophenyl)sulfonyl-1,3,5-triazabicyclo[3.2.1]octane?
The molecular weight of 3-(4-Chlorophenyl)sulfonyl-1,3,5-triazabicyclo[3.2.1]octane is 287.05 g/mol.
Where can I buy 3-(4-Chlorophenyl)sulfonyl-1,3,5-triazabicyclo[3.2.1]octane?
You can request a quote for 3-(4-Chlorophenyl)sulfonyl-1,3,5-triazabicyclo[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-Chlorophenyl)sulfonyl-1,3,5-triazabicyclo[3.2.1]octane?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorophenyl)sulfonyl-1,3,5-triazabicyclo[3.2.1]octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.