岩白菜素
TL;DR: 岩白菜素 (CAS 477-90-7) is a chemical compound with molecular formula C14H16O9 and molecular weight 328.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
岩白菜素
3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one
Also Known As: bergenin, vakerin, Bengenin, Bergeninum, Corylopsin
| Molecular Formula | C14H16O9 |
|---|---|
| Molecular Weight | 328.08 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 328.07944 |
| Heavy Atoms | 23 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 477-90-7 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1O)C3C(C(C(C(O3)CO)O)O)OC2=O)O |
| InChIKey | YWJXCIXBAKGUKZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
岩白菜素 (CAS 477-90-7), with molecular formula C14H16O9 and molecular weight 328.08 g/mol. IUPAC: 3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-6-one.
Chemical Property Profile of 岩白菜素
Property Insights of 岩白菜素
The XLogP value of -1.0 indicates that 岩白菜素 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 146.0 Ų indicates high polarity, suggesting 岩白菜素 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 岩白菜素 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 岩白菜素?
The CAS number of 岩白菜素 is 477-90-7.
What is the molecular formula of 岩白菜素?
The molecular formula of 岩白菜素 is C14H16O9.
What is the molecular weight of 岩白菜素?
The molecular weight of 岩白菜素 is 328.08 g/mol.
Where can I buy 岩白菜素?
You can request a quote for 岩白菜素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 岩白菜素?
Yes, KEHONG BIO provides custom synthesis services for 岩白菜素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.