![3-(Phenylsulfonyl)-3-azatricyclo[3.2.2.02,4]nonane structure](/static/products/939/939-38-8.png)
3-(Phenylsulfonyl)-3-azatricyclo[3.2.2.02,4]nonane
TL;DR: 3-(Phenylsulfonyl)-3-azatricyclo[3.2.2.02,4]nonane (CAS 939-38-8) is a chemical compound with molecular formula C14H17NO2S and molecular weight 263.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzenesulfonyl)-3-azatricyclo[3.2.2.02,4]nonane
Also Known As: 3-(phenylsulfonyl)-3-azatricyclo[3.2.2.02,4]nonane, 3-(Benzenesulfonyl)-3-azatricyclo[3.2.2.0~2,4~]nonane, 1-Tetrahydropyran-2-yl-4-methylamino-pyrazolo<3,4-d>pyrimidin
| Molecular Formula | C14H17NO2S |
|---|---|
| Molecular Weight | 263.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.098 |
| Heavy Atoms | 18 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 939-38-8 |
|---|---|
| SMILES | C1CC2CCC1C3C2N3S(=O)(=O)C4=CC=CC=C4 |
| InChIKey | LEMPHGLQXYXESX-UHFFFAOYSA-N |
Product Overview
3-(Phenylsulfonyl)-3-azatricyclo[3.2.2.02,4]nonane (CAS 939-38-8), with molecular formula C14H17NO2S and molecular weight 263.10 g/mol. IUPAC: 3-(benzenesulfonyl)-3-azatricyclo[3.2.2.02,4]nonane.
Chemical Property Profile of 3-(Phenylsulfonyl)-3-azatricyclo[3.2.2.02,4]nonane
Property Insights of 3-(Phenylsulfonyl)-3-azatricyclo[3.2.2.02,4]nonane
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Phenylsulfonyl)-3-azatricyclo[3.2.2.02,4]nonane. With a topological polar surface area (TPSA) of 45.5 Ų, 3-(Phenylsulfonyl)-3-azatricyclo[3.2.2.02,4]nonane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Phenylsulfonyl)-3-azatricyclo[3.2.2.02,4]nonane has 0 hydrogen bond donor(s) and 3 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-(Phenylsulfonyl)-3-azatricyclo[3.2.2.02,4]nonane?
The CAS number of 3-(Phenylsulfonyl)-3-azatricyclo[3.2.2.02,4]nonane is 939-38-8.
What is the molecular formula of 3-(Phenylsulfonyl)-3-azatricyclo[3.2.2.02,4]nonane?
The molecular formula of 3-(Phenylsulfonyl)-3-azatricyclo[3.2.2.02,4]nonane is C14H17NO2S.
What is the molecular weight of 3-(Phenylsulfonyl)-3-azatricyclo[3.2.2.02,4]nonane?
The molecular weight of 3-(Phenylsulfonyl)-3-azatricyclo[3.2.2.02,4]nonane is 263.10 g/mol.
Where can I buy 3-(Phenylsulfonyl)-3-azatricyclo[3.2.2.02,4]nonane?
You can request a quote for 3-(Phenylsulfonyl)-3-azatricyclo[3.2.2.02,4]nonane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Phenylsulfonyl)-3-azatricyclo[3.2.2.02,4]nonane?
Yes, KEHONG BIO provides custom synthesis services for 3-(Phenylsulfonyl)-3-azatricyclo[3.2.2.02,4]nonane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.