Scabiolide
TL;DR: Scabiolide (CAS 20055-57-6) is a chemical compound with molecular formula C21H28O8 and molecular weight 408.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-(acetyloxymethyl)-10-methyl-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-4-yl] 2,3-dihydroxy-2-methylpropanoate
Also Known As: Scabiolide, Scabiolide [MI], [6-(acetyloxymethyl)-10-methyl-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-4-yl] 2,3-dihydroxy-2-methylpropanoate, 6-[(acetyloxy)methyl]-10-methyl-3-methylidene-2-oxo-2,3,3a,4,7,8,11,11a-octahydrocyclodeca[b]furan-4-yl 2,3-dihydroxy-2-methylpropanoate, Germacra-1(10),4,11(13)-trien-12-oic acid, 6.alpha.,8.alpha.,15-trihydroxy-, 12,8-lactone, 15-acetate 2-methylglycerate
| Molecular Formula | C21H28O8 |
|---|---|
| Molecular Weight | 408.18 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 408.1784 |
| Heavy Atoms | 29 |
| Complexity | 750.0 |
Chemical Identifiers
| CAS Number | 20055-57-6 |
|---|---|
| SMILES | CC1=CCCC(=CC(C2C(C1)OC(=O)C2=C)OC(=O)C(C)(CO)O)COC(=O)C |
| InChIKey | SQQDHMIYFXZFNM-UHFFFAOYSA-N |
Product Overview
Scabiolide (CAS 20055-57-6), with molecular formula C21H28O8 and molecular weight 408.18 g/mol. IUPAC: [6-(acetyloxymethyl)-10-methyl-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-4-yl] 2,3-dihydroxy-2-methylpropanoate.
Chemical Property Profile of Scabiolide
Property Insights of Scabiolide
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Scabiolide. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Scabiolide. Following Lipinski's Rule of Five, Scabiolide 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 Scabiolide?
The CAS number of Scabiolide is 20055-57-6.
What is the molecular formula of Scabiolide?
The molecular formula of Scabiolide is C21H28O8.
What is the molecular weight of Scabiolide?
The molecular weight of Scabiolide is 408.18 g/mol.
Where can I buy Scabiolide?
You can request a quote for Scabiolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Scabiolide?
Yes, KEHONG BIO provides custom synthesis services for Scabiolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.