Andrographolide Impurity 5
TL;DR: Andrographolide Impurity 5 (CAS 869807-57-8) is a chemical compound with molecular formula C20H30O5 and molecular weight 350.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one
Also Known As: Andrographolide, Andropanolide, Andrographolide Impurity 5, (3E,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-Decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethylidene]dihydro-4-hydroxy-2(3H)-furanone, (S,E)-4-Hydroxy-3-(2-((1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydronaphthalen-1-yl)ethylidene)dihydrofuran-2(3H)-one
| Molecular Formula | C20H30O5 |
|---|---|
| Molecular Weight | 350.21 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.20932 |
| Heavy Atoms | 25 |
| Complexity | 597.0 |
Chemical Identifiers
| CAS Number | 869807-57-8 |
|---|---|
| SMILES | C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2CC=C3[C@@H](COC3=O)O)(C)CO)O |
| InChIKey | BOJKULTULYSRAS-UQZPWQSVSA-N |
Product Overview
Andrographolide Impurity 5 (CAS 869807-57-8), with molecular formula C20H30O5 and molecular weight 350.21 g/mol. IUPAC: (4S)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one.
Chemical Property Profile of Andrographolide Impurity 5
Property Insights of Andrographolide Impurity 5
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Andrographolide Impurity 5. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Andrographolide Impurity 5. Following Lipinski's Rule of Five, Andrographolide Impurity 5 has 3 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 Andrographolide Impurity 5?
The CAS number of Andrographolide Impurity 5 is 869807-57-8.
What is the molecular formula of Andrographolide Impurity 5?
The molecular formula of Andrographolide Impurity 5 is C20H30O5.
What is the molecular weight of Andrographolide Impurity 5?
The molecular weight of Andrographolide Impurity 5 is 350.21 g/mol.
Where can I buy Andrographolide Impurity 5?
You can request a quote for Andrographolide Impurity 5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Andrographolide Impurity 5?
Yes, KEHONG BIO provides custom synthesis services for Andrographolide Impurity 5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.