![CAS 24909-95-3 (1’R,3R,7’aβ)-1’β,7’α-Dihydroxy-3’aβ,4’β-dimethyl-4-methylenespiro[oxolane-3,2′-hydrindane]-2-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/24909-95-3.gif)
CAS RN: 24909-95-3
(1’R,3R,7’aβ)-1’β,7’α-Dihydroxy-3’aβ,4’β-dimethyl-4-methylenespiro[oxolane-3,2′-hydrindane]-2-one
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251226 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS24909-95-3
- Purity/Analytical Methods: >99.0%
24909-95-3 / (2R,3R,3aR,4S,7S,7aR)-3,4-dihydroxy-7,7a-dimethyl-4'-methylidenespiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-2'-one
Basic Information
CAS
24909-95-3
Multi CAS
No
Molecular Formula
C15H22O4
Molecular Weight
266.330000
Exact Mass
266.151809
SMILES
C[C@H]1CC[C@@H]([C@H]2[C@@]1(C[C@]3([C@@H]2O)C(=C)COC3=O)C)O
InChI
InChI=1S/C15H22O4/c1-8-4-5-10(16)11-12(17)15(7-14(8,11)3)9(2)6-19-13(15)18/h8,10-12,16-17H,2,4-7H2,1,3H3/t8-,10-,11+,12+,14+,15+/m0/s1
InChIKey
VNFLYLCSLQITAF-OBTPXQBUSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.8
H-bond acceptors
4
H-bond donors
2
Molar refractivity
69.16
TPSA
66.76
LogP / Solubility
WLOGP
1.26
MLOGP
1.12
XLogP3
1
Consensus LogP
1.13
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.66
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.44
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
5.5
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