5-Adamantanyl-1,3,4-oxathiazolin-2-one
TL;DR: 5-Adamantanyl-1,3,4-oxathiazolin-2-one (CAS 156816-85-2) is a chemical compound with molecular formula C12H15NO2S and molecular weight 237.08235 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(1-adamantyl)-1,3,4-oxathiazol-2-one
Also Known As: TimTec1_002313, 5-adamantyl-1,3,4-oxathiazol-2-one, 5-adamantanyl-1,3,4-oxathiazolin-2-one, 5-(1-adamantyl)-1,3,4-oxathiazol-2-one
Technical Specifications
| Molecular Formula | C12H15NO2S |
| Molecular Weight | 237.08235 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 64.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 237.08235 Da |
| Heavy Atoms | 16 |
| Complexity | 349.0 |
| SMILES | C1C2CC3CC1CC(C2)(C3)C4=NSC(=O)O4 |
| InChIKey | SPDHXRUPKIHVSW-UHFFFAOYSA-N |
Chemical Property Profile of 5-Adamantanyl-1,3,4-oxathiazolin-2-one
Property Insights of 5-Adamantanyl-1,3,4-oxathiazolin-2-one
The XLogP value of 3.1 indicates that 5-Adamantanyl-1,3,4-oxathiazolin-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Adamantanyl-1,3,4-oxathiazolin-2-one. Following Lipinski's Rule of Five, 5-Adamantanyl-1,3,4-oxathiazolin-2-one 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
What is the CAS number of 5-Adamantanyl-1,3,4-oxathiazolin-2-one?
The CAS number of 5-Adamantanyl-1,3,4-oxathiazolin-2-one is 156816-85-2.
What is the molecular formula of 5-Adamantanyl-1,3,4-oxathiazolin-2-one?
The molecular formula of 5-Adamantanyl-1,3,4-oxathiazolin-2-one is C12H15NO2S.
What is the molecular weight of 5-Adamantanyl-1,3,4-oxathiazolin-2-one?
The molecular weight of 5-Adamantanyl-1,3,4-oxathiazolin-2-one is 237.08235 g/mol.
Where can I buy 5-Adamantanyl-1,3,4-oxathiazolin-2-one?
You can request a quote for 5-Adamantanyl-1,3,4-oxathiazolin-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Adamantanyl-1,3,4-oxathiazolin-2-one?
Yes, CoreyChem provides custom synthesis services for 5-Adamantanyl-1,3,4-oxathiazolin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.