14-Deoxy-11-oxoandrographolide
TL;DR: 14-Deoxy-11-oxoandrographolide (CAS 42895-57-8) is a chemical compound with molecular formula C20H28O5 and molecular weight 348.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[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]-2-oxoethyl]-2H-furan-5-one
Also Known As: 14-Deoxy-11-oxoandrographolide, HY-N8711, 3-(2-((1R,4aS,5R,6R,8aR)-6-Hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydronaphthalen-1-yl)-2-oxoethyl)furan-2(5H)-one, 4-(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)-2-oxoethyl)-2H-furan-5-one
| Molecular Formula | C20H28O5 |
|---|---|
| Molecular Weight | 348.19 g/mol |
| LogP | 2.1708 |
| Topological Polar Surface Area | 83.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.19366 |
| Heavy Atoms | 25 |
| Complexity | 635.99774 |
Chemical Identifiers
| CAS Number | 42895-57-8 |
|---|---|
| SMILES | C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2C(=O)CC3=CCOC3=O)(C)CO)O |
Product Overview
14-Deoxy-11-oxoandrographolide (CAS 42895-57-8), with molecular formula C20H28O5 and molecular weight 348.19 g/mol. IUPAC: 4-[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]-2-oxoethyl]-2H-furan-5-one.
Chemical Property Profile of 14-Deoxy-11-oxoandrographolide
Property Insights of 14-Deoxy-11-oxoandrographolide
The XLogP value of 2.1708 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 14-Deoxy-11-oxoandrographolide. The TPSA of 83.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 14-Deoxy-11-oxoandrographolide. Following Lipinski's Rule of Five, 14-Deoxy-11-oxoandrographolide has 2 hydrogen bond donor(s) and 5 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 14-Deoxy-11-oxoandrographolide?
The CAS number of 14-Deoxy-11-oxoandrographolide is 42895-57-8.
What is the molecular formula of 14-Deoxy-11-oxoandrographolide?
The molecular formula of 14-Deoxy-11-oxoandrographolide is C20H28O5.
What is the molecular weight of 14-Deoxy-11-oxoandrographolide?
The molecular weight of 14-Deoxy-11-oxoandrographolide is 348.19 g/mol.
Where can I buy 14-Deoxy-11-oxoandrographolide?
You can request a quote for 14-Deoxy-11-oxoandrographolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 14-Deoxy-11-oxoandrographolide?
Yes, KEHONG BIO provides custom synthesis services for 14-Deoxy-11-oxoandrographolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.