CAS RN: 1189516-65-1
9-Keto Risperidone
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250324 | 1mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1189516-65-1
- Purity/Analytical Methods: >99.0%
1189516-65-1 / 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione
9-Keto Risperidone | Keto paliper | 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione
Basic Information
CAS
1189516-65-1
Multi CAS
No
Molecular Formula
C23H25FN4O3
Molecular Weight
424.500000
Exact Mass
424.191069
SMILES
CC1=C(C(=O)N2CCCC(=O)C2=N1)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F
InChI
InChI=1S/C23H25FN4O3/c1-14-17(23(30)28-9-2-3-19(29)22(28)25-14)8-12-27-10-6-15(7-11-27)21-18-5-4-16(24)13-20(18)31-26-21/h4-5,13,15H,2-3,6-12H2,1H3
InChIKey
AUSFXKQDZJPCTA-UHFFFAOYSA-N
Synonyms
9-Keto Risperidone
Keto paliper
3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-4,9-dione
Paliperidone 9-Keto Impurity
9-Keto Risperidone (90%)
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
15
Fraction Csp3
0.48
Rotatable bonds
4
H-bond acceptors
7
Molar refractivity
112.88
TPSA
81.23
LogP / Solubility
WLOGP
3.23
MLOGP
2.87
XLogP3
2.2
Consensus LogP
2.77
Log S (ESOL)
-4.6
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.58
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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