Xanthinin
TL;DR: Xanthinin (CAS 153483-31-9) is a chemical compound with molecular formula C17H22O5 and molecular weight 306.14673 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[1-[(3aR,7S,8aS)-7-methyl-3-methylidene-2-oxo-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-6-yl]-3-oxobutyl] acetate
Also Known As: Xanthinin, alpha-Methylene-gamma-lactone, 1, Ethanethioic acid,(heptylthio)-,S-methyl ester, [1-[(3aR,7S,8aS)-7-methyl-3-methylidene-2-oxo-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-6-yl]-3-oxobutyl] acetate, [1-(7-methyl-3-methylidene-2-oxo-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-6-yl)-3-oxobutyl] acetate
Technical Specifications
| Molecular Formula | C17H22O5 |
| Molecular Weight | 306.14673 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.14673 Da |
| Heavy Atoms | 22 |
| Complexity | 545.0 |
| SMILES | C[C@H]1C[C@H]2[C@H](CC=C1C(CC(=O)C)OC(=O)C)C(=C)C(=O)O2 |
| InChIKey | DPSCQKGSAHTWSP-LPVYDGHXSA-N |
Chemical Property Profile of Xanthinin
Property Insights of Xanthinin
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Xanthinin. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Xanthinin. Following Lipinski's Rule of Five, Xanthinin 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
What is the CAS number of Xanthinin?
The CAS number of Xanthinin is 153483-31-9.
What is the molecular formula of Xanthinin?
The molecular formula of Xanthinin is C17H22O5.
What is the molecular weight of Xanthinin?
The molecular weight of Xanthinin is 306.14673 g/mol.
Where can I buy Xanthinin?
You can request a quote for Xanthinin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Xanthinin?
Yes, CoreyChem provides custom synthesis services for Xanthinin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.