Herbacitrin
TL;DR: Herbacitrin (CAS 35815-07-7) 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.
3,5,8-trihydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Also Known As: Isoariculatin, HERBACITRIN, Herbacetrin, Herbacetin 7-O-glucoside, herbacetin-7-O-beta-D-glucoside
| 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 | 35815-07-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O |
Product Overview
Herbacitrin (CAS 35815-07-7), with molecular formula C21H20O12 and molecular weight 464.10 g/mol. IUPAC: 3,5,8-trihydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one.
Chemical Property Profile of Herbacitrin
Property Insights of Herbacitrin
The XLogP value of -0.5389 indicates that Herbacitrin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 210.51 Ų indicates high polarity, suggesting Herbacitrin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Herbacitrin 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 Herbacitrin?
The CAS number of Herbacitrin is 35815-07-7.
What is the molecular formula of Herbacitrin?
The molecular formula of Herbacitrin is C21H20O12.
What is the molecular weight of Herbacitrin?
The molecular weight of Herbacitrin is 464.10 g/mol.
Where can I buy Herbacitrin?
You can request a quote for Herbacitrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Herbacitrin?
Yes, KEHONG BIO provides custom synthesis services for Herbacitrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.