14-Deoxy-11,12-dehydroandrographolide
TL;DR: 14-Deoxy-11,12-dehydroandrographolide (CAS 1602832-59-6) is a chemical compound with molecular formula C20H28O4 and molecular weight 332.19876 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(E)-2-[(1R,4aS,5R,6R,8aR)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]-2H-furan-5-one
Also Known As: 14-Deoxy-11,12-didehydroandrographolide, Dehydroandrographolide, 14-Deoxy-11,12-dehydroandrographolide, 14-dehydro Andrographolide, Andrographolide Impurity 4
Technical Specifications
| Molecular Formula | C20H28O4 |
| Molecular Weight | 332.19876 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.19876 Da |
| Heavy Atoms | 24 |
| Complexity | 605.0 |
| SMILES | C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2/C=C/C3=CCOC3=O)(C)CO)O |
| InChIKey | XMJAJFVLHDIEHF-CRBRZBHVSA-N |
Chemical Property Profile of 14-Deoxy-11,12-dehydroandrographolide
Property Insights of 14-Deoxy-11,12-dehydroandrographolide
The XLogP value of 3.2 indicates that 14-Deoxy-11,12-dehydroandrographolide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 14-Deoxy-11,12-dehydroandrographolide. Following Lipinski's Rule of Five, 14-Deoxy-11,12-dehydroandrographolide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 14-Deoxy-11,12-dehydroandrographolide?
The CAS number of 14-Deoxy-11,12-dehydroandrographolide is 1602832-59-6.
What is the molecular formula of 14-Deoxy-11,12-dehydroandrographolide?
The molecular formula of 14-Deoxy-11,12-dehydroandrographolide is C20H28O4.
What is the molecular weight of 14-Deoxy-11,12-dehydroandrographolide?
The molecular weight of 14-Deoxy-11,12-dehydroandrographolide is 332.19876 g/mol.
Where can I buy 14-Deoxy-11,12-dehydroandrographolide?
You can request a quote for 14-Deoxy-11,12-dehydroandrographolide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 14-Deoxy-11,12-dehydroandrographolide?
Yes, CoreyChem provides custom synthesis services for 14-Deoxy-11,12-dehydroandrographolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.