黃芩苷
TL;DR: 黃芩苷 (CAS 21967-41-9) 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.
黃芩苷
(2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Baicalin, Baicaloside, Baicalein 7-O-glucuronide, Baicalin hydrate, baikalin
| Molecular Formula | C21H18O11 |
|---|---|
| Molecular Weight | 446.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 446.0849 |
| Heavy Atoms | 32 |
| Complexity | 748.0 |
Chemical Identifiers
| CAS Number | 21967-41-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O |
| InChIKey | IKIIZLYTISPENI-ZFORQUDYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
黃芩苷 (CAS 21967-41-9), with molecular formula C21H18O11 and molecular weight 446.08 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of 黃芩苷
Property Insights of 黃芩苷
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 黃芩苷. The TPSA of 183.0 Ų indicates high polarity, suggesting 黃芩苷 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 黃芩苷 has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 黃芩苷?
The CAS number of 黃芩苷 is 21967-41-9.
What is the molecular formula of 黃芩苷?
The molecular formula of 黃芩苷 is C21H18O11.
What is the molecular weight of 黃芩苷?
The molecular weight of 黃芩苷 is 446.08 g/mol.
Where can I buy 黃芩苷?
You can request a quote for 黃芩苷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 黃芩苷?
Yes, KEHONG BIO provides custom synthesis services for 黃芩苷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.