![CAS 52330-12-8 3,11,17-Trihydroxytricyclo[12.3.1.12,6]nonadeca-1(18),2,4,6(19),14,16-hexen-9-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/52330-12-8.gif)
CAS RN: 52330-12-8
3,11,17-Trihydroxytricyclo[12.3.1.12,6]nonadeca-1(18),2,4,6(19),14,16-hexen-9-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.20250125 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS52330-12-8
- Purity/Analytical Methods: >99.0%
52330-12-8 / 3,11,17-trihydroxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-9-one
Basic Information
CAS
52330-12-8
Multi CAS
Yes
Molecular Formula
C19H20O4
Molecular Weight
312.400000
Exact Mass
312.136159
InChI
InChI=1S/C19H20O4/c20-14-5-1-12-3-7-18(22)16(9-12)17-10-13(4-8-19(17)23)2-6-15(21)11-14/h3-4,7-10,14,20,22-23H,1-2,5-6,11H2/t14-/m0/s1
InChIKey
XVHOPVJSRBYOKK-AWEZNQCLSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.32
H-bond acceptors
4
H-bond donors
3
Molar refractivity
87.48
TPSA
77.76
LogP / Solubility
WLOGP
2.96
MLOGP
2.62
XLogP3
2.6
Consensus LogP
2.73
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.15
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
8.5
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