![CAS 63213-00-3 (R)-2′,3′-Dihydro-7′-hydroxy-5′-methoxyspiro[2-cyclohexene-1,1′-[1H]inden]-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/63213-00-3.gif)
CAS RN: 63213-00-3
(R)-2′,3′-Dihydro-7′-hydroxy-5′-methoxyspiro[2-cyclohexene-1,1′-[1H]inden]-4-one
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260520 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS63213-00-3
- Purity/Analytical Methods: >99.0%
63213-00-3 / 4-hydroxy-6-methoxyspiro[1,2-dihydroindene-3,4'-cyclohex-2-ene]-1'-one
Basic Information
CAS
63213-00-3
Multi CAS
Yes
Molecular Formula
C15H16O3
Molecular Weight
244.280000
Exact Mass
244.109944
InChI
InChI=1S/C15H16O3/c1-18-12-8-10-2-5-15(14(10)13(17)9-12)6-3-11(16)4-7-15/h3,6,8-9,17H,2,4-5,7H2,1H3
InChIKey
MVYJADZNMQXLJB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.04
TPSA
46.53
LogP / Solubility
WLOGP
2.5
MLOGP
2.21
XLogP3
2.5
Consensus LogP
2.4
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
Class (SILICOS-IT)
Poorly 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)
-2.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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