CAS RN: 761460-08-6
Paliperidone N-Oxide
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.20260608 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS761460-08-6
- Purity/Analytical Methods: >99.0%
761460-08-6 / 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-oxidopiperidin-1-ium-1-yl]ethyl]-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
Basic Information
CAS
761460-08-6
Multi CAS
Yes
Molecular Formula
C23FH27N4O4
Molecular Weight
442.500000
Exact Mass
442.201634
InChI
InChI=1S/C23H27FN4O4/c1-14-17(23(30)27-9-2-3-19(29)22(27)25-14)8-12-28(31)10-6-15(7-11-28)21-18-5-4-16(24)13-20(18)32-26-21/h4-5,13,15,19,29H,2-3,6-12H2,1H3
InChIKey
SOGHBNZGNKDZHD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
15
Fraction Csp3
0.52
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
1
Molar refractivity
115.3
TPSA
104.21
LogP / Solubility
WLOGP
3.09
MLOGP
2.75
XLogP3
1.6
Consensus LogP
2.48
Log S (ESOL)
-4.62
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.42
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.22
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
4
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