日本莽草素
TL;DR: 日本莽草素 (CAS 5230-87-5) is a chemical compound with molecular formula C15H20O8 and molecular weight 328.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
日本莽草素
(1S,2R,4R,5R,6S,7R,8R,11R)-4,5,7,11-tetrahydroxy-2,7-dimethylspiro[9-oxatricyclo[6.3.1.01,5]dodecane-6,3'-oxetane]-2',10-dione
Also Known As: Anisatin, aniasatin, (-)-Anisatin, Fruit of illicium anisatum L., (1s,2r,4r,5r,6s,7r,8r,11r)-4,5,7,11-tetrahydroxy-2,7-dimethyl-10h-spiro[9-oxatricyclo[6.3.1.01,5]dodecane-6,3'-oxetane]-2',10-dione
| Molecular Formula | C15H20O8 |
|---|---|
| Molecular Weight | 328.12 g/mol |
| LogP | -1.9 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 328.1158 |
| Heavy Atoms | 23 |
| Complexity | 621.0 |
Chemical Identifiers
| CAS Number | 5230-87-5 |
|---|---|
| SMILES | C[C@@H]1C[C@H]([C@]2([C@@]13C[C@H]([C@]([C@@]24COC4=O)(C)O)OC(=O)[C@@H]3O)O)O |
| InChIKey | GEVWHIDSUOMVRI-QWNPAUMXSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
日本莽草素 (CAS 5230-87-5), with molecular formula C15H20O8 and molecular weight 328.12 g/mol. IUPAC: (1S,2R,4R,5R,6S,7R,8R,11R)-4,5,7,11-tetrahydroxy-2,7-dimethylspiro[9-oxatricyclo[6.3.1.01,5]dodecane-6,3'-oxetane]-2',10-dione.
Chemical Property Profile of 日本莽草素
Property Insights of 日本莽草素
The XLogP value of -1.9 indicates that 日本莽草素 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 日本莽草素. Following Lipinski's Rule of Five, 日本莽草素 has 4 hydrogen bond donor(s) and 8 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 日本莽草素?
The CAS number of 日本莽草素 is 5230-87-5.
What is the molecular formula of 日本莽草素?
The molecular formula of 日本莽草素 is C15H20O8.
What is the molecular weight of 日本莽草素?
The molecular weight of 日本莽草素 is 328.12 g/mol.
Where can I buy 日本莽草素?
You can request a quote for 日本莽草素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 日本莽草素?
Yes, KEHONG BIO provides custom synthesis services for 日本莽草素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.