Andrographidine E
TL;DR: Andrographidine E (CAS 113963-80-7) is a chemical compound with molecular formula C24H26O11 and molecular weight 490.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,8-dimethoxy-2-(2-methoxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Also Known As: Andrographidine E, AndrographidineE, MEGxp0_000980, ACon1_000899, 5-Hydroxy-7,8,2'-trimethoxyflavone 5-glucoside
| Molecular Formula | C24H26O11 |
|---|---|
| Molecular Weight | 490.15 g/mol |
| LogP | 0.6645 |
| Topological Polar Surface Area | 157.28 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 490.14752 |
| Heavy Atoms | 35 |
| Complexity | 1252.1843 |
Chemical Identifiers
| CAS Number | 113963-80-7 |
|---|---|
| SMILES | COC1=CC=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC)OC |
Product Overview
Andrographidine E (CAS 113963-80-7), with molecular formula C24H26O11 and molecular weight 490.15 g/mol. IUPAC: 7,8-dimethoxy-2-(2-methoxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one.
Chemical Property Profile of Andrographidine E
Property Insights of Andrographidine E
The XLogP value of 0.6645 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Andrographidine E. The TPSA of 157.28 Ų indicates high polarity, suggesting Andrographidine E may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Andrographidine E has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Andrographidine E?
The CAS number of Andrographidine E is 113963-80-7.
What is the molecular formula of Andrographidine E?
The molecular formula of Andrographidine E is C24H26O11.
What is the molecular weight of Andrographidine E?
The molecular weight of Andrographidine E is 490.15 g/mol.
Where can I buy Andrographidine E?
You can request a quote for Andrographidine E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Andrographidine E?
Yes, KEHONG BIO provides custom synthesis services for Andrographidine E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.