Neoandrographolide
TL;DR: Neoandrographolide (CAS 36050-34-7) is a chemical compound with molecular formula C26H40O8 and molecular weight 480.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[(4aS,5R,8aS)-5,8a-dimethyl-2-methylidene-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one
Also Known As: Neoandrographolide, KST-1A4206, KST-1A4207, I07-0197, {(1r,4as,8as)-1,4a-dimethyl-6-methylidene-5-[2-(2-oxo-2,5-dihydrofuran-3-yl)ethyl]decahydronaphthalen-1-yl}methyl
| Molecular Formula | C26H40O8 |
|---|---|
| Molecular Weight | 480.27 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 480.2723 |
| Heavy Atoms | 34 |
| Complexity | 811.0 |
Chemical Identifiers
| CAS Number | 36050-34-7 |
|---|---|
| SMILES | C[C@]1(CCC[C@@]2([C@@H]1CCC(=C)C2CCC3=CCOC3=O)C)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O |
| InChIKey | YGCYRQKJYWQXHG-JXAGCRMJSA-N |
Product Overview
Neoandrographolide (CAS 36050-34-7), with molecular formula C26H40O8 and molecular weight 480.27 g/mol. IUPAC: 4-[2-[(4aS,5R,8aS)-5,8a-dimethyl-2-methylidene-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one.
Chemical Property Profile of Neoandrographolide
Property Insights of Neoandrographolide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Neoandrographolide. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Neoandrographolide. Following Lipinski's Rule of Five, Neoandrographolide has 4 hydrogen bond donor(s) and 8 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 Neoandrographolide?
The CAS number of Neoandrographolide is 36050-34-7.
What is the molecular formula of Neoandrographolide?
The molecular formula of Neoandrographolide is C26H40O8.
What is the molecular weight of Neoandrographolide?
The molecular weight of Neoandrographolide is 480.27 g/mol.
Where can I buy Neoandrographolide?
You can request a quote for Neoandrographolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neoandrographolide?
Yes, KEHONG BIO provides custom synthesis services for Neoandrographolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.