Cleistanthin B
TL;DR: Cleistanthin B (CAS 30021-77-3) is a chemical compound with molecular formula C27H26O12 and molecular weight 542.14246 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3H-benzo[f][2]benzofuran-1-one
Also Known As: Cleistanthin B, Clei B, Diphyllin O-glucoside, Sheng bai xin, diphyllin beta-D-glucoside
Technical Specifications
| Molecular Formula | C27H26O12 |
| Molecular Weight | 542.14246 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 163.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 542.14246 Da |
| Heavy Atoms | 39 |
| Complexity | 874.0 |
| SMILES | COC1=C(C=C2C(=C1)C(=C3C(=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)COC3=O)C5=CC6=C(C=C5)OCO6)OC |
| InChIKey | BJGIWVGXMRUMNA-WBYCZGBQSA-N |
Chemical Property Profile of Cleistanthin B
Property Insights of Cleistanthin B
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cleistanthin B. The TPSA of 163.0 Ų indicates high polarity, suggesting Cleistanthin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cleistanthin B has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Cleistanthin B?
The CAS number of Cleistanthin B is 30021-77-3.
What is the molecular formula of Cleistanthin B?
The molecular formula of Cleistanthin B is C27H26O12.
What is the molecular weight of Cleistanthin B?
The molecular weight of Cleistanthin B is 542.14246 g/mol.
Where can I buy Cleistanthin B?
You can request a quote for Cleistanthin B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cleistanthin B?
Yes, CoreyChem provides custom synthesis services for Cleistanthin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.