Labdanolic acid
TL;DR: Labdanolic acid (CAS 469-11-4) is a chemical compound with molecular formula C20H36O3 and molecular weight 324.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpentanoic acid
Also Known As: Labdanolic acid, 5-(2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpentanoic acid
| Molecular Formula | C20H36O3 |
|---|---|
| Molecular Weight | 324.27 g/mol |
| LogP | 4.871 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.26645 |
| Heavy Atoms | 23 |
| Complexity | 440.16776 |
Chemical Identifiers
| CAS Number | 469-11-4 |
|---|---|
| SMILES | CC(CCC1C2(CCCC(C2CCC1(C)O)(C)C)C)CC(=O)O |
Product Overview
Labdanolic acid (CAS 469-11-4), with molecular formula C20H36O3 and molecular weight 324.27 g/mol. IUPAC: 5-(2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpentanoic acid.
Chemical Property Profile of Labdanolic acid
Property Insights of Labdanolic acid
The XLogP value of 4.871 indicates that Labdanolic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.53 Ų, Labdanolic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Labdanolic acid has 2 hydrogen bond donor(s) and 2 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 Labdanolic acid?
The CAS number of Labdanolic acid is 469-11-4.
What is the molecular formula of Labdanolic acid?
The molecular formula of Labdanolic acid is C20H36O3.
What is the molecular weight of Labdanolic acid?
The molecular weight of Labdanolic acid is 324.27 g/mol.
Where can I buy Labdanolic acid?
You can request a quote for Labdanolic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Labdanolic acid?
Yes, KEHONG BIO provides custom synthesis services for Labdanolic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.