Neoastilbin
TL;DR: Neoastilbin (CAS 54081-48-0) is a chemical compound with molecular formula C21H22O11 and molecular weight 450.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one
Also Known As: Neoastilbin, Isoastilbin, NEOSMITILBIN, Astilbin, (2S,3S)-Taxifolin 3-rhamnoside
| Molecular Formula | C21H22O11 |
|---|---|
| Molecular Weight | 450.12 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 186.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 3 |
| Exact Mass | 450.1162 |
| Heavy Atoms | 32 |
| Complexity | 676.0 |
Chemical Identifiers
| CAS Number | 54081-48-0 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H](OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O |
| InChIKey | ZROGCCBNZBKLEL-MFSALPCASA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Neoastilbin (CAS 54081-48-0), with molecular formula C21H22O11 and molecular weight 450.12 g/mol. IUPAC: (2S,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one.
Chemical Property Profile of Neoastilbin
Property Insights of Neoastilbin
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Neoastilbin. The TPSA of 186.0 Ų indicates high polarity, suggesting Neoastilbin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Neoastilbin has 7 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 Neoastilbin?
The CAS number of Neoastilbin is 54081-48-0.
What is the molecular formula of Neoastilbin?
The molecular formula of Neoastilbin is C21H22O11.
What is the molecular weight of Neoastilbin?
The molecular weight of Neoastilbin is 450.12 g/mol.
Where can I buy Neoastilbin?
You can request a quote for Neoastilbin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neoastilbin?
Yes, KEHONG BIO provides custom synthesis services for Neoastilbin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.