spirasine IV
TL;DR: spirasine IV (CAS 102386-48-1) is a chemical compound with molecular formula C20H25NO and molecular weight 295.1936 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5R,9S,11S,16S,17R,18R)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-10-one
Also Known As: Spirasine IV, Hetisan-13-one, (20xi)-21xi-Hetisan-13-one, (5R,9S,11S,16S,17R,18R)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-10-one
Technical Specifications
| Molecular Formula | C20H25NO |
| Molecular Weight | 295.1936 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 295.1936 Da |
| Heavy Atoms | 22 |
| Complexity | 683.0 |
| SMILES | C[C@@]12CCCC34[C@@H]1[C@@H]5CC67[C@H]3C[C@@H](C(=C)C6)C(=O)[C@@H]7C4N5C2 |
| InChIKey | AEQMMISNDMJYNF-YVYAJNEFSA-N |
Chemical Property Profile of spirasine IV
Property Insights of spirasine IV
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for spirasine IV. With a topological polar surface area (TPSA) of 20.3 Ų, spirasine IV exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, spirasine IV has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of spirasine IV?
The CAS number of spirasine IV is 102386-48-1.
What is the molecular formula of spirasine IV?
The molecular formula of spirasine IV is C20H25NO.
What is the molecular weight of spirasine IV?
The molecular weight of spirasine IV is 295.1936 g/mol.
Where can I buy spirasine IV?
You can request a quote for spirasine IV directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for spirasine IV?
Yes, CoreyChem provides custom synthesis services for spirasine IV and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.