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CAS 666179-96-0 Risperidone (Mesylate) molecular structure lightbox
CAS RN: 666179-96-0

Risperidone (Mesylate)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251118 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS666179-96-0
  • Purity/Analytical Methods: >99.0%
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666179-96-0 / 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;methanesulfonic acid

Standard CAS: 666179-96-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
666179-96-0
Multi CAS
No
Molecular Formula
C24FH31N4O5S
Molecular Weight
506.600000
Exact Mass
506.199919
InChI
InChI=1S/C23H27FN4O2.CH4O3S/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22;1-5(2,3)4/h5-6,14,16H,2-4,7-13H2,1H3;1H3,(H,2,3,4)
InChIKey
OJUQOWYTFBZUKJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
15
Fraction Csp3
0.54
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
1
Molar refractivity
129.73
TPSA
118.53

LogP / Solubility

WLOGP
3.09
MLOGP
2.76
XLogP3
3.09
Consensus LogP
2.98
Log S (ESOL)
-4.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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