Herbacin
TL;DR: Herbacin (CAS 11021-22-0) is a chemical compound with molecular formula C21H20O12 and molecular weight 464.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Also Known As: Herbacin, Hycolin, Herbacetin-8-glucoside, Herbacetin 8-O-glucoside, Herbacin (gl ycoside)
| Molecular Formula | C21H20O12 |
|---|---|
| Molecular Weight | 464.10 g/mol |
| LogP | -0.5389 |
| Topological Polar Surface Area | 210.51 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 464.0955 |
| Heavy Atoms | 33 |
| Complexity | 1232.9542 |
Chemical Identifiers
| CAS Number | 11021-22-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)CO)O)O)O)O)O |
Product Overview
Herbacin (CAS 11021-22-0), with molecular formula C21H20O12 and molecular weight 464.10 g/mol. IUPAC: 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one.
Chemical Property Profile of Herbacin
Property Insights of Herbacin
The XLogP value of -0.5389 indicates that Herbacin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 210.51 Ų indicates high polarity, suggesting Herbacin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Herbacin has 8 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Herbacin?
The CAS number of Herbacin is 11021-22-0.
What is the molecular formula of Herbacin?
The molecular formula of Herbacin is C21H20O12.
What is the molecular weight of Herbacin?
The molecular weight of Herbacin is 464.10 g/mol.
Where can I buy Herbacin?
You can request a quote for Herbacin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Herbacin?
Yes, KEHONG BIO provides custom synthesis services for Herbacin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.