Vernodalin
TL;DR: Vernodalin (CAS 21871-10-3) is a chemical compound with molecular formula C19H20O7 and molecular weight 360.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3aR,4S,5aR,9aR,9bR)-5a-ethenyl-3,9-dimethylidene-2,8-dioxo-3a,4,5,6,9a,9b-hexahydrofuro[2,3-f]isochromen-4-yl] 2-(hydroxymethyl)prop-2-enoate
Also Known As: SID:448284039, [(3aR,4S,5aR,9aR,9bR)-5a-ethenyl-3,9-dimethylidene-2,8-dioxo-3a,4,5,6,9a,9b-hexahydrofuro[2,3-f]isochromen-4-yl] 2-(hydroxymethyl)prop-2-enoate, ((3aR,4S,5aR,9aR,9bR)-5a-ethenyl-3,9-dimethylidene-2,8-dioxo-3a,4,5,6,9a,9b-hexahydrofuro(2,3-f)isochromen-4-yl) 2-(hydroxymethyl)prop-2-enoate, (1R,2R,6R,7S,9R)-9-ethenyl-5,13-dimethylidene-4,12-dioxo-3,11-dioxatricyclo[7.4.0.02,6]tridecan-7-yl 2-(hydroxymethyl)prop-2-enoate, (3aR,4S,5aR,9aR,9bR)-5a-Ethenyl-3,9-dimethylidene-2,8-dioxodecahydro-2H-furo[2,3-f][2]benzopyran-4-yl 2-(hydroxymethyl)prop-2-enoate
| Molecular Formula | C19H20O7 |
|---|---|
| Molecular Weight | 360.12 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 360.1209 |
| Heavy Atoms | 26 |
| Complexity | 749.0 |
Chemical Identifiers
| CAS Number | 21871-10-3 |
|---|---|
| SMILES | C=C[C@]12C[C@@H]([C@@H]3[C@@H]([C@H]1C(=C)C(=O)OC2)OC(=O)C3=C)OC(=O)C(=C)CO |
| InChIKey | ZSXNBLOPYIJLQV-WSVVRNJXSA-N |
Product Overview
Vernodalin (CAS 21871-10-3), with molecular formula C19H20O7 and molecular weight 360.12 g/mol. IUPAC: [(3aR,4S,5aR,9aR,9bR)-5a-ethenyl-3,9-dimethylidene-2,8-dioxo-3a,4,5,6,9a,9b-hexahydrofuro[2,3-f]isochromen-4-yl] 2-(hydroxymethyl)prop-2-enoate.
Chemical Property Profile of Vernodalin
Property Insights of Vernodalin
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Vernodalin. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Vernodalin. Following Lipinski's Rule of Five, Vernodalin has 1 hydrogen bond donor(s) and 7 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 Vernodalin?
The CAS number of Vernodalin is 21871-10-3.
What is the molecular formula of Vernodalin?
The molecular formula of Vernodalin is C19H20O7.
What is the molecular weight of Vernodalin?
The molecular weight of Vernodalin is 360.12 g/mol.
Where can I buy Vernodalin?
You can request a quote for Vernodalin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vernodalin?
Yes, KEHONG BIO provides custom synthesis services for Vernodalin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.