CAS RN: 43076-16-0
9,10-Dioxo Ketotifen
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.20250616 | 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS43076-16-0
- Purity/Analytical Methods: >99.0%
43076-16-0 / 2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene-8,9-dione
Basic Information
CAS
43076-16-0
Multi CAS
No
Molecular Formula
C19H17NO2S
Molecular Weight
323.400000
Exact Mass
323.098000
InChI
InChI=1S/C19H17NO2S/c1-20-9-6-12(7-10-20)16-13-4-2-3-5-14(13)17(21)18(22)19-15(16)8-11-23-19/h2-5,8,11H,6-7,9-10H2,1H3
InChIKey
SEWPKRUDHMXTMH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
11
Fraction Csp3
0.26
H-bond acceptors
4
Molar refractivity
92.18
TPSA
37.38
LogP / Solubility
WLOGP
3.65
MLOGP
3.23
XLogP3
2.9
Consensus LogP
3.26
Log S (ESOL)
-4.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.85
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.8
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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