Verbenalin
TL;DR: Verbenalin (CAS 548-37-8) is a chemical compound with molecular formula C17H24O10 and molecular weight 388.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,4aS,7S,7aR)-7-methyl-5-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
Also Known As: Verbenalin, Cornin, Verbenaloside, Cornin (glycoside), cornin iridoid
| Molecular Formula | C17H24O10 |
|---|---|
| Molecular Weight | 388.14 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.13693 |
| Heavy Atoms | 27 |
| Complexity | 619.0 |
Chemical Identifiers
| CAS Number | 548-37-8 |
|---|---|
| SMILES | C[C@H]1CC(=O)[C@H]2[C@@H]1[C@@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
| InChIKey | HLXRWTJXGMHOFN-XJSNKYLASA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Verbenalin (CAS 548-37-8), with molecular formula C17H24O10 and molecular weight 388.14 g/mol. IUPAC: methyl (1S,4aS,7S,7aR)-7-methyl-5-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate.
Chemical Property Profile of Verbenalin
Property Insights of Verbenalin
The XLogP value of -1.5 indicates that Verbenalin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 152.0 Ų indicates high polarity, suggesting Verbenalin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Verbenalin has 4 hydrogen bond donor(s) and 10 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 Verbenalin?
The CAS number of Verbenalin is 548-37-8.
What is the molecular formula of Verbenalin?
The molecular formula of Verbenalin is C17H24O10.
What is the molecular weight of Verbenalin?
The molecular weight of Verbenalin is 388.14 g/mol.
Where can I buy Verbenalin?
You can request a quote for Verbenalin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Verbenalin?
Yes, KEHONG BIO provides custom synthesis services for Verbenalin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.