Marrubiinsaeure
TL;DR: Marrubiinsaeure (CAS 101060-65-5) is a chemical compound with molecular formula C20H30O5 and molecular weight 350.20932 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[2-(furan-3-yl)ethyl]-5,8-dihydroxy-1,4a,6-trimethyl-3,4,6,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
Also Known As: Marrubiinsaeure, Marrubic acid, Benzene, (chloromethyl)heptyl-, Ethanol, 2-[bis[(butylphenyl)methyl]amino]-, Benzene, 1-(chloromethyl)-2-(2-methylpropyl)-
Technical Specifications
| Molecular Formula | C20H30O5 |
| Molecular Weight | 350.20932 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 90.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.20932 Da |
| Heavy Atoms | 25 |
| Complexity | 522.0 |
| SMILES | CC1CC(C2C(CCCC2(C1(CCC3=COC=C3)O)C)(C)C(=O)O)O |
| InChIKey | XNJHGRHUXRWGMG-UHFFFAOYSA-N |
Chemical Property Profile of Marrubiinsaeure
Property Insights of Marrubiinsaeure
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Marrubiinsaeure. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Marrubiinsaeure. Following Lipinski's Rule of Five, Marrubiinsaeure has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Marrubiinsaeure?
The CAS number of Marrubiinsaeure is 101060-65-5.
What is the molecular formula of Marrubiinsaeure?
The molecular formula of Marrubiinsaeure is C20H30O5.
What is the molecular weight of Marrubiinsaeure?
The molecular weight of Marrubiinsaeure is 350.20932 g/mol.
Where can I buy Marrubiinsaeure?
You can request a quote for Marrubiinsaeure directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Marrubiinsaeure?
Yes, CoreyChem provides custom synthesis services for Marrubiinsaeure and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.