Isodomedin
TL;DR: Isodomedin (CAS 39388-61-9) is a chemical compound with molecular formula C22H32O6 and molecular weight 392.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,4R,6S,8S,9R,10S,16S)-2,8,16-trihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
Also Known As: Isodomedin
| Molecular Formula | C22H32O6 |
|---|---|
| Molecular Weight | 392.22 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 392.21988 |
| Heavy Atoms | 28 |
| Complexity | 743.0 |
Chemical Identifiers
| CAS Number | 39388-61-9 |
|---|---|
| SMILES | CC(=O)O[C@H]1C[C@@H]([C@]2([C@@H]3CCC4[C@@H](C3([C@@H](C[C@@H]2C1(C)C)O)C(=O)C4=C)O)C)O |
| InChIKey | DHKJGTMHEVCMKJ-IVVNGPSPSA-N |
Product Overview
Isodomedin (CAS 39388-61-9), with molecular formula C22H32O6 and molecular weight 392.22 g/mol. IUPAC: [(2R,4R,6S,8S,9R,10S,16S)-2,8,16-trihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate.
Chemical Property Profile of Isodomedin
Property Insights of Isodomedin
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isodomedin. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isodomedin. Following Lipinski's Rule of Five, Isodomedin has 3 hydrogen bond donor(s) and 6 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 Isodomedin?
The CAS number of Isodomedin is 39388-61-9.
What is the molecular formula of Isodomedin?
The molecular formula of Isodomedin is C22H32O6.
What is the molecular weight of Isodomedin?
The molecular weight of Isodomedin is 392.22 g/mol.
Where can I buy Isodomedin?
You can request a quote for Isodomedin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isodomedin?
Yes, KEHONG BIO provides custom synthesis services for Isodomedin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.