Dioscine
TL;DR: Dioscine (CAS 469-88-5) is a chemical compound with molecular formula C13H21NO2 and molecular weight 223.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4',8-dimethylspiro[8-azabicyclo[3.2.1]octane-2,6'-oxane]-2'-one
Also Known As: Dioscine, Spiro(8-azabicyclo(3.2.1)octane-2,2'-(2H)pyran)-6'(3'H)-one, dihydro-4',8-dimethyl-, 4',8-dimethyldihydrospiro[8-azabicyclo[3.2.1]octane-2,2'-pyran]-6'(3'h)-one, 4',8-Dimethylspiro[8-azabicyclo[3.2.1]octane-2,2'-oxan]-6'-one, 4',8-dimethylspiro[8-azabicyclo[3.2.1]octane-4,6'-oxane]-2'-one
| Molecular Formula | C13H21NO2 |
|---|---|
| Molecular Weight | 223.16 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 223.15723 |
| Heavy Atoms | 16 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 469-88-5 |
|---|---|
| SMILES | CC1CC(=O)OC2(C1)CCC3CCC2N3C |
| InChIKey | LFUZKSWYBFTKPB-UHFFFAOYSA-N |
Product Overview
Dioscine (CAS 469-88-5), with molecular formula C13H21NO2 and molecular weight 223.16 g/mol. IUPAC: 4',8-dimethylspiro[8-azabicyclo[3.2.1]octane-2,6'-oxane]-2'-one.
Chemical Property Profile of Dioscine
Property Insights of Dioscine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dioscine. With a topological polar surface area (TPSA) of 29.5 Ų, Dioscine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dioscine 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 Dioscine?
The CAS number of Dioscine is 469-88-5.
What is the molecular formula of Dioscine?
The molecular formula of Dioscine is C13H21NO2.
What is the molecular weight of Dioscine?
The molecular weight of Dioscine is 223.16 g/mol.
Where can I buy Dioscine?
You can request a quote for Dioscine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dioscine?
Yes, KEHONG BIO provides custom synthesis services for Dioscine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.