5,6-Dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl hexopyranosiduronic acid
TL;DR: 5,6-Dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl hexopyranosiduronic acid (CAS 206752-33-2) is a chemical compound with molecular formula C21H18O11 and molecular weight 446.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Baicalin, Baicalin hydrate, Oroxin A, BAICAILIN, Baicalein 7-O-glucuronide
| Molecular Formula | C21H18O11 |
|---|---|
| Molecular Weight | 446.08 g/mol |
| LogP | 0.1422 |
| Topological Polar Surface Area | 187.12 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 446.0849 |
| Heavy Atoms | 32 |
| Complexity | 1219.8833 |
Chemical Identifiers
| CAS Number | 206752-33-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O |
Product Overview
5,6-Dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl hexopyranosiduronic acid (CAS 206752-33-2), with molecular formula C21H18O11 and molecular weight 446.08 g/mol. IUPAC: 6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of 5,6-Dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl hexopyranosiduronic acid
Property Insights of 5,6-Dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl hexopyranosiduronic acid
The XLogP value of 0.1422 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6-Dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl hexopyranosiduronic acid. The TPSA of 187.12 Ų indicates high polarity, suggesting 5,6-Dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl hexopyranosiduronic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5,6-Dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl hexopyranosiduronic acid has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5,6-Dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl hexopyranosiduronic acid?
The CAS number of 5,6-Dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl hexopyranosiduronic acid is 206752-33-2.
What is the molecular formula of 5,6-Dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl hexopyranosiduronic acid?
The molecular formula of 5,6-Dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl hexopyranosiduronic acid is C21H18O11.
What is the molecular weight of 5,6-Dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl hexopyranosiduronic acid?
The molecular weight of 5,6-Dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl hexopyranosiduronic acid is 446.08 g/mol.
Where can I buy 5,6-Dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl hexopyranosiduronic acid?
You can request a quote for 5,6-Dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl hexopyranosiduronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-Dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl hexopyranosiduronic acid?
Yes, KEHONG BIO provides custom synthesis services for 5,6-Dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl hexopyranosiduronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.