Margolonone
TL;DR: Margolonone (CAS 14166-65-5) is a chemical compound with molecular formula C19H22O4 and molecular weight 314.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4bS,8aR)-3,4b,8,8-tetramethyl-7,10-dioxo-5,6,8a,9-tetrahydrophenanthrene-2-carboxylic acid
Also Known As: Margolonone, 12-methyl-3,7-dioxopodocarpa-8,11,13-triene-13-carboxylic acid, (4bS,8aR)-3,4b,8,8-tetramethyl-7,10-dioxo-5,6,8a,9-tetrahydrophenanthrene-2-carboxylic Acid, (4bS,8aR)-3,4b,8,8-Tetramethyl-7,10-dioxo-4b,5,6,7,8,8a,9,10-octahydro-phenanthrene-2-carboxylic acid, 2-Phenanthrenecarboxylic acid, 4b,5,6,7,8,8a,9,10-octahydro-3,4b,8,8- tetramethyl-7,10-dioxo-, (4bS-trans)-
| Molecular Formula | C19H22O4 |
|---|---|
| Molecular Weight | 314.15 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 314.1518 |
| Heavy Atoms | 23 |
| Complexity | 564.0 |
Chemical Identifiers
| CAS Number | 14166-65-5 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C(=O)O)C(=O)C[C@@H]3[C@@]2(CCC(=O)C3(C)C)C |
| InChIKey | NWRPENOOCXAGDV-HNAYVOBHSA-N |
Product Overview
Margolonone (CAS 14166-65-5), with molecular formula C19H22O4 and molecular weight 314.15 g/mol. IUPAC: (4bS,8aR)-3,4b,8,8-tetramethyl-7,10-dioxo-5,6,8a,9-tetrahydrophenanthrene-2-carboxylic acid.
Chemical Property Profile of Margolonone
Property Insights of Margolonone
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Margolonone. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Margolonone. Following Lipinski's Rule of Five, Margolonone has 1 hydrogen bond donor(s) and 4 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 Margolonone?
The CAS number of Margolonone is 14166-65-5.
What is the molecular formula of Margolonone?
The molecular formula of Margolonone is C19H22O4.
What is the molecular weight of Margolonone?
The molecular weight of Margolonone is 314.15 g/mol.
Where can I buy Margolonone?
You can request a quote for Margolonone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Margolonone?
Yes, KEHONG BIO provides custom synthesis services for Margolonone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.