大豆苷
TL;DR: 大豆苷 (CAS 552-66-9) is a chemical compound with molecular formula C21H20O9 and molecular weight 416.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
大豆苷
3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Also Known As: Daidzin, Daidzoside, Daidzein 7-O-glucoside, Daidzein 7-glucoside, Daidzein-7-glucoside
| Molecular Formula | C21H20O9 |
|---|---|
| Molecular Weight | 416.11 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.11072 |
| Heavy Atoms | 30 |
| Complexity | 644.0 |
| Melting Point | 233 - 235 °C |
Chemical Identifiers
| CAS Number | 552-66-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O |
| InChIKey | KYQZWONCHDNPDP-QNDFHXLGSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
大豆苷 (CAS 552-66-9), with molecular formula C21H20O9 and molecular weight 416.11 g/mol. IUPAC: 3-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one.
Chemical Property Profile of 大豆苷
Property Insights of 大豆苷
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 大豆苷. The TPSA of 146.0 Ų indicates high polarity, suggesting 大豆苷 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 大豆苷 has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 大豆苷?
The CAS number of 大豆苷 is 552-66-9.
What is the molecular formula of 大豆苷?
The molecular formula of 大豆苷 is C21H20O9.
What is the molecular weight of 大豆苷?
The molecular weight of 大豆苷 is 416.11 g/mol.
Where can I buy 大豆苷?
You can request a quote for 大豆苷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 大豆苷?
Yes, KEHONG BIO provides custom synthesis services for 大豆苷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.