Isodonoiol
TL;DR: Isodonoiol (CAS 82460-75-1) is a chemical compound with molecular formula C22H30O7 and molecular weight 406.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[11-hydroxy-8-(hydroxymethyl)-7,7-dimethyl-14-methylidene-2,15-dioxo-3-oxatetracyclo[11.2.1.01,10.04,9]hexadecan-9-yl]methyl acetate
Also Known As: Isodonoiol, Rabdophyllin G, Rabdosin C, [11-hydroxy-8-(hydroxymethyl)-7,7-dimethyl-14-methylidene-2,15-dioxo-3-oxatetracyclo[11.2.1.01,10.04,9]hexadecan-9-yl]methyl acetate, Enmein, 8-(acetyloxy)-8,10-deepoxy-13-deoxy-5-hydroxy-, (5-alpha)-
| Molecular Formula | C22H30O7 |
|---|---|
| Molecular Weight | 406.20 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.19916 |
| Heavy Atoms | 29 |
| Complexity | 786.0 |
Chemical Identifiers
| CAS Number | 82460-75-1 |
|---|---|
| SMILES | CC(=O)OCC12C(CCC(C1CO)(C)C)OC(=O)C34C2C(CC(C3)C(=C)C4=O)O |
| InChIKey | OCELUFZNLBUKGF-UHFFFAOYSA-N |
Product Overview
Isodonoiol (CAS 82460-75-1), with molecular formula C22H30O7 and molecular weight 406.20 g/mol. IUPAC: [11-hydroxy-8-(hydroxymethyl)-7,7-dimethyl-14-methylidene-2,15-dioxo-3-oxatetracyclo[11.2.1.01,10.04,9]hexadecan-9-yl]methyl acetate.
Chemical Property Profile of Isodonoiol
Property Insights of Isodonoiol
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isodonoiol. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isodonoiol. Following Lipinski's Rule of Five, Isodonoiol has 2 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 Isodonoiol?
The CAS number of Isodonoiol is 82460-75-1.
What is the molecular formula of Isodonoiol?
The molecular formula of Isodonoiol is C22H30O7.
What is the molecular weight of Isodonoiol?
The molecular weight of Isodonoiol is 406.20 g/mol.
Where can I buy Isodonoiol?
You can request a quote for Isodonoiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isodonoiol?
Yes, KEHONG BIO provides custom synthesis services for Isodonoiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.