Spirasine XII
TL;DR: Spirasine XII (CAS 115610-46-3) is a chemical compound with molecular formula C20H25NO3 and molecular weight 327.18344 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5R,9S,11S,16S,17R,18R)-10,16-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-19-one
Also Known As: Spirasine XII, Spirasine XIII, 6,13-Dihydroxyhetisan-11-one, KST-1A1119, (6
Technical Specifications
| Molecular Formula | C20H25NO3 |
| Molecular Weight | 327.18344 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 60.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 327.18344 Da |
| Heavy Atoms | 24 |
| Complexity | 764.0 |
| SMILES | C[C@@]12CCCC34[C@@H]1[C@]5(CC67[C@H]3C(=O)[C@H](C([C@@H]6C4N5C2)O)C(=C)C7)O |
| InChIKey | QGHUQYREUKNVFY-SWKKZXMPSA-N |
Chemical Property Profile of Spirasine XII
Property Insights of Spirasine XII
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Spirasine XII. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Spirasine XII. Following Lipinski's Rule of Five, Spirasine XII has 2 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 Spirasine XII?
The CAS number of Spirasine XII is 115610-46-3.
What is the molecular formula of Spirasine XII?
The molecular formula of Spirasine XII is C20H25NO3.
What is the molecular weight of Spirasine XII?
The molecular weight of Spirasine XII is 327.18344 g/mol.
Where can I buy Spirasine XII?
You can request a quote for Spirasine XII directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Spirasine XII?
Yes, CoreyChem provides custom synthesis services for Spirasine XII and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.