3-Phenylsulphonyloxy-quinuclidine
TL;DR: 3-Phenylsulphonyloxy-quinuclidine (CAS 64099-43-0) is a chemical compound with molecular formula C13H17NO3S and molecular weight 267.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-azabicyclo[2.2.2]octan-3-yl benzenesulfonate
Also Known As: 3-Phenylsulfonyloxy-chinuclidin, 3-Phenylsulphonyloxy-quinuclidine, 1-azabicyclo[2.2.2]oct-3-yl benzenesulfonate, 1-azabicyclo[2.2.2]octan-3-yl benzenesulfonate, 8-(benzenesulfonyloxy)-1-azabicyclo[2.2.2]octane
| Molecular Formula | C13H17NO3S |
|---|---|
| Molecular Weight | 267.09 g/mol |
| LogP | 1.4861 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.09293 |
| Heavy Atoms | 18 |
| Complexity | 506.2977 |
Chemical Identifiers
| CAS Number | 64099-43-0 |
|---|---|
| SMILES | C1CN2CCC1C(C2)OS(=O)(=O)C3=CC=CC=C3 |
Product Overview
3-Phenylsulphonyloxy-quinuclidine (CAS 64099-43-0), with molecular formula C13H17NO3S and molecular weight 267.09 g/mol. IUPAC: 1-azabicyclo[2.2.2]octan-3-yl benzenesulfonate.
Chemical Property Profile of 3-Phenylsulphonyloxy-quinuclidine
Property Insights of 3-Phenylsulphonyloxy-quinuclidine
The XLogP value of 1.4861 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenylsulphonyloxy-quinuclidine. With a topological polar surface area (TPSA) of 46.61 Ų, 3-Phenylsulphonyloxy-quinuclidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenylsulphonyloxy-quinuclidine 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-Phenylsulphonyloxy-quinuclidine?
The CAS number of 3-Phenylsulphonyloxy-quinuclidine is 64099-43-0.
What is the molecular formula of 3-Phenylsulphonyloxy-quinuclidine?
The molecular formula of 3-Phenylsulphonyloxy-quinuclidine is C13H17NO3S.
What is the molecular weight of 3-Phenylsulphonyloxy-quinuclidine?
The molecular weight of 3-Phenylsulphonyloxy-quinuclidine is 267.09 g/mol.
Where can I buy 3-Phenylsulphonyloxy-quinuclidine?
You can request a quote for 3-Phenylsulphonyloxy-quinuclidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenylsulphonyloxy-quinuclidine?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenylsulphonyloxy-quinuclidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.