![CAS 24694-79-9 5-Acetoxy-4-[[(2,3-dimethyloxiran-2-yl)carbonyl]oxy]-2,3,3a,4,5,8,9,11a-octahydro-10-methyl-3-methylene-2-oxocyclodeca[b]furan-6-carboxylic acid methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/24694-79-9.gif)
CAS RN: 24694-79-9
5-Acetoxy-4-[[(2,3-dimethyloxiran-2-yl)carbonyl]oxy]-2,3,3a,4,5,8,9,11a-octahydro-10-methyl-3-methylene-2-oxocyclodeca[b]furan-6-carboxylic acid methyl ester
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250730 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS24694-79-9
- Purity/Analytical Methods: >99.0%
24694-79-9 / methyl (3aS,4S,5S,6E,10E,11aR)-5-acetyloxy-4-[(2R,3R)-2,3-dimethyloxirane-2-carbonyl]oxy-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate
Basic Information
CAS
24694-79-9
Multi CAS
No
Molecular Formula
C23H28O9
Molecular Weight
448.500000
Exact Mass
448.173332
SMILES
C[C@@H]1[C@](O1)(C)C(=O)O[C@H]2[C@@H]3[C@@H](/C=C(/CC/C=C(\[C@@H]2OC(=O)C)/C(=O)OC)\C)OC(=O)C3=C
InChI
InChI=1S/C23H28O9/c1-11-8-7-9-15(21(26)28-6)18(29-14(4)24)19(31-22(27)23(5)13(3)32-23)17-12(2)20(25)30-16(17)10-11/h9-10,13,16-19H,2,7-8H2,1,3-6H3
InChIKey
JIEVJXRUYDZFTD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Fraction Csp3
0.57
Rotatable bonds
4
H-bond acceptors
9
Molar refractivity
109.99
TPSA
117.73
LogP / Solubility
WLOGP
1.94
MLOGP
1.74
XLogP3
1.9
Consensus LogP
1.86
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.67
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7
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