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CAS 53823-03-3 Onitisin molecular structure lightbox
CAS RN: 53823-03-3

Onitisin

Product Availability

Choose a grade to view its available package options.

2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251220 5mg Out of stock 30 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250213 1mg Out of stock Inquiry
  • Product code: starshine_CAS53823-03-3
  • Purity/Analytical Methods: >99.0%
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53823-03-3 / 4-hydroxy-6-(2-hydroxyethyl)-2-(hydroxymethyl)-2,5,7-trimethyl-3H-inden-1-one

Standard CAS: 53823-03-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
53823-03-3
Multi CAS
Yes
Molecular Formula
C15H20O4
Molecular Weight
264.320000
Exact Mass
264.136159
InChI
InChI=1S/C15H20O4/c1-8-10(4-5-16)9(2)13(18)11-6-15(3,7-17)14(19)12(8)11/h16-18H,4-7H2,1-3H3
InChIKey
DKTHZTCRZGYKCV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
71.6
TPSA
77.76

LogP / Solubility

WLOGP
1.28
MLOGP
1.14
XLogP3
1.9
Consensus LogP
1.44
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
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)
-3.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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