Diketocoriolin B
TL;DR: Diketocoriolin B (CAS 35108-88-4) is a chemical compound with molecular formula C23H32O6 and molecular weight 404.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,3R,6S,7S,8S,9R,11R)-5,5,8-trimethyl-2,10-dioxospiro[12-oxatetracyclo[6.4.0.01,11.03,7]dodecane-9,2'-oxirane]-6-yl] octanoate
Also Known As: Diketocoriolin B, diketocoriolinB, CORIOLIN B, DIKETO-, KST-1A4093, NCI60_001220
| Molecular Formula | C23H32O6 |
|---|---|
| Molecular Weight | 404.22 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 85.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 404.21988 |
| Heavy Atoms | 29 |
| Complexity | 788.0 |
Chemical Identifiers
| CAS Number | 35108-88-4 |
|---|---|
| SMILES | CCCCCCCC(=O)O[C@H]1[C@H]2[C@@H](CC1(C)C)C(=O)[C@@]34[C@@]2([C@@]5(CO5)C(=O)[C@@H]3O4)C |
| InChIKey | WEFMOIXWHANDPP-BAPOVYBWSA-N |
Product Overview
Diketocoriolin B (CAS 35108-88-4), with molecular formula C23H32O6 and molecular weight 404.22 g/mol. IUPAC: [(1R,3R,6S,7S,8S,9R,11R)-5,5,8-trimethyl-2,10-dioxospiro[12-oxatetracyclo[6.4.0.01,11.03,7]dodecane-9,2'-oxirane]-6-yl] octanoate.
Chemical Property Profile of Diketocoriolin B
Property Insights of Diketocoriolin B
The XLogP value of 3.6 indicates that Diketocoriolin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Diketocoriolin B. Following Lipinski's Rule of Five, Diketocoriolin B has 0 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 Diketocoriolin B?
The CAS number of Diketocoriolin B is 35108-88-4.
What is the molecular formula of Diketocoriolin B?
The molecular formula of Diketocoriolin B is C23H32O6.
What is the molecular weight of Diketocoriolin B?
The molecular weight of Diketocoriolin B is 404.22 g/mol.
Where can I buy Diketocoriolin B?
You can request a quote for Diketocoriolin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diketocoriolin B?
Yes, KEHONG BIO provides custom synthesis services for Diketocoriolin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.