金丝桃苷
TL;DR: 金丝桃苷 (CAS 65549-68-0) 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.
金丝桃苷
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Also Known As: Hyperoside, Hyperin, Hyperosid, Hyperozide, Hyperasid
| 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 | 1250.2042 |
Chemical Identifiers
| CAS Number | 65549-68-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O |
Product Overview
金丝桃苷 (CAS 65549-68-0), with molecular formula C21H20O12 and molecular weight 464.10 g/mol. IUPAC: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one.
Chemical Property Profile of 金丝桃苷
Property Insights of 金丝桃苷
The XLogP value of -0.5389 indicates that 金丝桃苷 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 210.51 Ų indicates high polarity, suggesting 金丝桃苷 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 金丝桃苷 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 金丝桃苷?
The CAS number of 金丝桃苷 is 65549-68-0.
What is the molecular formula of 金丝桃苷?
The molecular formula of 金丝桃苷 is C21H20O12.
What is the molecular weight of 金丝桃苷?
The molecular weight of 金丝桃苷 is 464.10 g/mol.
Where can I buy 金丝桃苷?
You can request a quote for 金丝桃苷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 金丝桃苷?
Yes, KEHONG BIO provides custom synthesis services for 金丝桃苷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.