Phellodonic acid
TL;DR: Phellodonic acid (CAS 152613-17-7) is a chemical compound with molecular formula C23H32O6 and molecular weight 404.21988 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5,8-dimethyl-9-methylidene-6-octanoyloxy-10-oxo-12-oxatetracyclo[6.4.0.01,11.03,7]dodecane-5-carboxylic acid
Also Known As: Phellodonic acid, 5,8-dimethyl-9-methylidene-6-octanoyloxy-10-oxo-12-oxatetracyclo[6.4.0.01,11.03,7]dodecane-5-carboxylic acid, 3a,5-Dimethyl-3-methylidene-4-(octanoyloxy)-2-oxodecahydrocyclopenta[4,5]pentaleno[1,6a-b]oxirene-5-carboxylic acid, Cyclopenta(4,5)pentaleno(1,6a-b)oxirene-5-carboxylic acid, decahydro-3a,5-dimethyl-3-methylene-2-oxo-4-((1-oxooctyl)oxy)-, (1aS-(1aalpha,3abeta,3balpha,4alpha,5beta,6aalpha,7aR*))-
Technical Specifications
| Molecular Formula | C23H32O6 |
| Molecular Weight | 404.21988 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 93.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 404.21988 Da |
| Heavy Atoms | 29 |
| Complexity | 773.0 |
| SMILES | CCCCCCCC(=O)OC1C2C(CC1(C)C(=O)O)CC34C2(C(=C)C(=O)C3O4)C |
| InChIKey | SGMJRSNRTRKWNM-UHFFFAOYSA-N |
Chemical Property Profile of Phellodonic acid
Property Insights of Phellodonic acid
The XLogP value of 4.2 indicates that Phellodonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Phellodonic acid. Following Lipinski's Rule of Five, Phellodonic acid has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Phellodonic acid?
The CAS number of Phellodonic acid is 152613-17-7.
What is the molecular formula of Phellodonic acid?
The molecular formula of Phellodonic acid is C23H32O6.
What is the molecular weight of Phellodonic acid?
The molecular weight of Phellodonic acid is 404.21988 g/mol.
Where can I buy Phellodonic acid?
You can request a quote for Phellodonic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phellodonic acid?
Yes, CoreyChem provides custom synthesis services for Phellodonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.