Anhydromerogedunol
TL;DR: Anhydromerogedunol (CAS 5195-83-5) is a chemical compound with molecular formula C21H26O3 and molecular weight 326.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6,6,14,17-pentamethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-3,12,14-triene-5,11-dione
Also Known As: Anhydromerogedunol, (4-bromophenyl)(oxo)acetaldehyde, 4-Methylpicrasa-1,12,14-triene-3,16-dione, 4-Methylpicrasa-1,12,14-triene-3,16-dione #, Podocarpa-1,12-diene-.DELTA.14,.alpha.-acetic acid, 7-hydroxy-8,13-dimethyl-3-oxo-, .delta.-lactone
| Molecular Formula | C21H26O3 |
|---|---|
| Molecular Weight | 326.19 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 326.1882 |
| Heavy Atoms | 24 |
| Complexity | 738.0 |
Chemical Identifiers
| CAS Number | 5195-83-5 |
|---|---|
| SMILES | CC1=CCC2C3(C=CC(=O)C(C3CC4C2(C1=CC(=O)O4)C)(C)C)C |
| InChIKey | BBTIMCOIBFCQJN-UHFFFAOYSA-N |
Product Overview
Anhydromerogedunol (CAS 5195-83-5), with molecular formula C21H26O3 and molecular weight 326.19 g/mol. IUPAC: 2,6,6,14,17-pentamethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-3,12,14-triene-5,11-dione.
Chemical Property Profile of Anhydromerogedunol
Property Insights of Anhydromerogedunol
The XLogP value of 3.6 indicates that Anhydromerogedunol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Anhydromerogedunol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Anhydromerogedunol has 0 hydrogen bond donor(s) and 3 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 Anhydromerogedunol?
The CAS number of Anhydromerogedunol is 5195-83-5.
What is the molecular formula of Anhydromerogedunol?
The molecular formula of Anhydromerogedunol is C21H26O3.
What is the molecular weight of Anhydromerogedunol?
The molecular weight of Anhydromerogedunol is 326.19 g/mol.
Where can I buy Anhydromerogedunol?
You can request a quote for Anhydromerogedunol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Anhydromerogedunol?
Yes, KEHONG BIO provides custom synthesis services for Anhydromerogedunol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.