Lithospermate B
TL;DR: Lithospermate B (CAS 122021-74-3) is a chemical compound with molecular formula C36H28MgO16 and molecular weight 740.1228 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
magnesium 2-[3-[3-[1-carboxylato-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyloxy]-3-(3,4-dihydroxyphenyl)propanoate
Also Known As: Lithospermate B, Magnesium lithospermate B, Monomethyl lithospermate B, Lithospermate B;Magnesium tanshinoate B; Lithospermic acid B Mg complex, magnesium;2-[3-[3-[1-carboxylato-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyloxy]-3-(3,4-dihydroxyphenyl)propanoate
Technical Specifications
| Molecular Formula | C36H28MgO16 |
| Molecular Weight | 740.1228 g/mol |
| XLogP | 0.28 |
| Topological Polar Surface Area (TPSA) | 284.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 12 |
| Exact Mass | 740.1228 Da |
| Heavy Atoms | 53 |
| Complexity | 1280.0 |
| SMILES | C1=CC(=C(C=C1CC(C(=O)[O-])OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)[O-])O)O.[Mg+2] |
| InChIKey | ANUBYMNVOPVATP-UHFFFAOYSA-L |
Chemical Property Profile of Lithospermate B
Property Insights of Lithospermate B
The XLogP value of 0.28 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Lithospermate B. The TPSA of 284.0 Ų indicates high polarity, suggesting Lithospermate B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Lithospermate B has 7 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Lithospermate B?
The CAS number of Lithospermate B is 122021-74-3.
What is the molecular formula of Lithospermate B?
The molecular formula of Lithospermate B is C36H28MgO16.
What is the molecular weight of Lithospermate B?
The molecular weight of Lithospermate B is 740.1228 g/mol.
Where can I buy Lithospermate B?
You can request a quote for Lithospermate B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Lithospermate B?
Yes, CoreyChem provides custom synthesis services for Lithospermate B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.