Lagochilline
TL;DR: Lagochilline (CAS 131898-43-6) is a chemical compound with molecular formula C20H36O5 and molecular weight 356.2563 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5'-(2-hydroxyethyl)-1,5'-bis(hydroxymethyl)-1,4a,6-trimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxolane]-2-ol
Also Known As: Lagochilline, Lagochiline, 5'-(2-hydroxyethyl)-1,5'-bis(hydroxymethyl)-1,4a,6-trimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxolane]-2-ol, (2R,4'aalpha,5S)-3',4,4',4a',5,5',6',7',8',8a'-Decahydro-6'beta-hydroxy-5-(2-hydroxyethyl)-2'alpha,5',8'abeta-trimethylspiro[furan-2(3H),1'(2'H)-naphthalene]-5,5'alpha-dimethanol, (4'aS)-decahydro-6'S-hydroxy-5-(2-hydroxyethyl)-2'R,5',8'aS-trimethyl-spiro[furan-2(3H),1'R(2'H)-naphthalene]-5S,5'R-dimethanol
Technical Specifications
| Molecular Formula | C20H36O5 |
| Molecular Weight | 356.2563 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 90.2 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.2563 Da |
| Heavy Atoms | 25 |
| Complexity | 498.0 |
| SMILES | CC1CCC2C(C13CCC(O3)(CCO)CO)(CCC(C2(C)CO)O)C |
| InChIKey | XYPPDQHBNJURHU-UHFFFAOYSA-N |
Chemical Property Profile of Lagochilline
Property Insights of Lagochilline
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Lagochilline. The TPSA of 90.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Lagochilline. Following Lipinski's Rule of Five, Lagochilline has 4 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 Lagochilline?
The CAS number of Lagochilline is 131898-43-6.
What is the molecular formula of Lagochilline?
The molecular formula of Lagochilline is C20H36O5.
What is the molecular weight of Lagochilline?
The molecular weight of Lagochilline is 356.2563 g/mol.
Where can I buy Lagochilline?
You can request a quote for Lagochilline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Lagochilline?
Yes, CoreyChem provides custom synthesis services for Lagochilline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.