Vernodalol
TL;DR: Vernodalol (CAS 65388-17-2) is a chemical compound with molecular formula C20H24O8 and molecular weight 392.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4aR,5R,6S,7S,8aR)-8a-ethenyl-5-hydroxy-6-(3-methoxy-3-oxoprop-1-en-2-yl)-4-methylidene-3-oxo-1,4a,5,6,7,8-hexahydroisochromen-7-yl] 2-(hydroxymethyl)prop-2-enoate
Also Known As: Vernodalol, vern, Vernodalol, >=95% (LC/MS-ELSD), SID:521251128, [(4aR,5R,6S,7S,8aR)-8a-ethenyl-5-hydroxy-6-(3-methoxy-3-oxoprop-1-en-2-yl)-4-methylidene-3-oxo-1,4a,5,6,7,8-hexahydroisochromen-7-yl] 2-(hydroxymethyl)prop-2-enoate
| Molecular Formula | C20H24O8 |
|---|---|
| Molecular Weight | 392.15 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 392.14713 |
| Heavy Atoms | 28 |
| Complexity | 751.0 |
Chemical Identifiers
| CAS Number | 65388-17-2 |
|---|---|
| SMILES | COC(=O)C(=C)[C@@H]1[C@H](C[C@@]2(COC(=O)C(=C)[C@@H]2[C@H]1O)C=C)OC(=O)C(=C)CO |
| InChIKey | FZALQGCQQJLGKE-BBNZOYGDSA-N |
Product Overview
Vernodalol (CAS 65388-17-2), with molecular formula C20H24O8 and molecular weight 392.15 g/mol. IUPAC: [(4aR,5R,6S,7S,8aR)-8a-ethenyl-5-hydroxy-6-(3-methoxy-3-oxoprop-1-en-2-yl)-4-methylidene-3-oxo-1,4a,5,6,7,8-hexahydroisochromen-7-yl] 2-(hydroxymethyl)prop-2-enoate.
Chemical Property Profile of Vernodalol
Property Insights of Vernodalol
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Vernodalol. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Vernodalol. Following Lipinski's Rule of Five, Vernodalol has 2 hydrogen bond donor(s) and 8 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 Vernodalol?
The CAS number of Vernodalol is 65388-17-2.
What is the molecular formula of Vernodalol?
The molecular formula of Vernodalol is C20H24O8.
What is the molecular weight of Vernodalol?
The molecular weight of Vernodalol is 392.15 g/mol.
Where can I buy Vernodalol?
You can request a quote for Vernodalol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vernodalol?
Yes, KEHONG BIO provides custom synthesis services for Vernodalol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.