CAS RN: 28233-34-3
1,3,5-Trihydroxy-2,4-bis(3-methyl-2-butenyl)-9(10H)-acridinone
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260423 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS28233-34-3
- Purity/Analytical Methods: >99.0%
28233-34-3 / 1,3,5-trihydroxy-10-methyl-2,4-bis(3-methylbut-2-enyl)acridin-9-one
Basic Information
CAS
28233-34-3
Multi CAS
Yes
Molecular Formula
C24H27NO4
Molecular Weight
393.500000
Exact Mass
393.194008
InChI
InChI=1S/C24H27NO4/c1-13(2)9-11-16-21-19(24(29)17(22(16)27)12-10-14(3)4)23(28)15-7-6-8-18(26)20(15)25(21)5/h6-10,26-27,29H,11-12H2,1-5H3
InChIKey
ISJBDHUGVDBULE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
14
Fraction Csp3
0.29
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
3
Molar refractivity
117.96
TPSA
82.69
LogP / Solubility
WLOGP
4.83
MLOGP
4.27
XLogP3
6.5
Consensus LogP
5.2
Log S (ESOL)
-5.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.7
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.69
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
2.5
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