CAS RN: 83846-83-7
KETANSERIN TARTRATE
Product Availability
Choose a grade to view its available package options.
10 package records10 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251229 | 100mg | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250711 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250828 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250530 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260302 | 5g | In stock | Shanghai, Shenzhen | Inquiry |
- Product code: starshine_CAS83846-83-7
- Purity/Analytical Methods: >99.0%
83846-83-7 / 2,3-dihydroxybutanedioic acid;3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione
Basic Information
CAS
83846-83-7
Multi CAS
Yes
Molecular Formula
C26FH28N3O9
Molecular Weight
545.500000
Exact Mass
545.180958
InChI
InChI=1S/C22H22FN3O3.C4H6O6/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29;5-1(3(7)8)2(6)4(9)10/h1-8,16H,9-14H2,(H,24,29);1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
InChIKey
KMTLTEVOQLMYRS-LREBCSMRSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
16
Fraction Csp3
0.35
Rotatable bonds
8
H-bond acceptors
9
H-bond donors
5
Molar refractivity
136.01
TPSA
190.23
LogP / Solubility
WLOGP
0.3
MLOGP
0.31
XLogP3
0.3
Consensus LogP
0.3
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.42
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5
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