Isodonal
TL;DR: Isodonal (CAS 20086-59-3) is a chemical compound with molecular formula C22H28O7 and molecular weight 404.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3'-formyl-7-hydroxy-4',4'-dimethyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,2'-cyclohexane]-1'-yl) acetate
Also Known As: Isodonal, Trichorabdal H, (3'-Formyl-7-hydroxy-4',4'-dimethyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,2'-cyclohexane]-1'-yl) acetate, 6-Formyl-5'-hydroxy-5,5-dimethyl-8'-methylidene-1',9'-dioxohexahydro-1'H,3'H-spiro[cyclohexane-1,4'-[2]oxa[7,9a]methanocyclohepta[c]pyran]-2-yl acetate, 6-Formyl-5'-hydroxy-5,5-dimethyl-8'-methylidene-1',9'-dioxohexahydro-1'H,3'H-spiro[cyclohexane-1,4'-[7,9a]methanocyclohepta[c]pyran]-2-yl acetate
| Molecular Formula | C22H28O7 |
|---|---|
| Molecular Weight | 404.18 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.1835 |
| Heavy Atoms | 29 |
| Complexity | 814.0 |
Chemical Identifiers
| CAS Number | 20086-59-3 |
|---|---|
| SMILES | CC(=O)OC1CCC(C(C12COC(=O)C34C2C(CC(C3)C(=C)C4=O)O)C=O)(C)C |
| InChIKey | ORDKVFHKMGUXSQ-UHFFFAOYSA-N |
Product Overview
Isodonal (CAS 20086-59-3), with molecular formula C22H28O7 and molecular weight 404.18 g/mol. IUPAC: (3'-formyl-7-hydroxy-4',4'-dimethyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,2'-cyclohexane]-1'-yl) acetate.
Chemical Property Profile of Isodonal
Property Insights of Isodonal
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isodonal. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isodonal. Following Lipinski's Rule of Five, Isodonal 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 Isodonal?
The CAS number of Isodonal is 20086-59-3.
What is the molecular formula of Isodonal?
The molecular formula of Isodonal is C22H28O7.
What is the molecular weight of Isodonal?
The molecular weight of Isodonal is 404.18 g/mol.
Where can I buy Isodonal?
You can request a quote for Isodonal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isodonal?
Yes, KEHONG BIO provides custom synthesis services for Isodonal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.