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CAS 106266-09-5 Desfluoro Risperidone molecular structure lightbox
CAS RN: 106266-09-5

Desfluoro Risperidone

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Batchno.20260328 10mg / 25mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS106266-09-5
  • Purity/Analytical Methods: >99.0%
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106266-09-5 / 3-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

Desfluoro Risperidone | 00J14P0P46 | 3-(2-(4-(1,2-Benzisoxazol-3-yl)piperidin-1-yl)ethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido(1,2-a)pyrimidin-4-one

Standard CAS: 106266-09-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
106266-09-5
Multi CAS
Yes
Molecular Formula
C23H28N4O2
Molecular Weight
392.500000
Exact Mass
392.221226
SMILES
CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C4=NOC5=CC=CC=C54
InChI
InChI=1S/C23H28N4O2/c1-16-18(23(28)27-12-5-4-8-21(27)24-16)11-15-26-13-9-17(10-14-26)22-19-6-2-3-7-20(19)29-25-22/h2-3,6-7,17H,4-5,8-15H2,1H3
InChIKey
PLOGUXWMVNJOPF-UHFFFAOYSA-N
Synonyms
Desfluoro Risperidone 00J14P0P46 3-(2-(4-(1,2-Benzisoxazol-3-yl)piperidin-1-yl)ethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido(1,2-a)pyrimidin-4-one 4H-Pyrido(1,2-a)pyrimidin-4-one, 3-(2-(4-(1,2-benzisoxazol-3-yl)-1-piperidinyl)ethyl)-6,7,8,9-tetrahydro-2-methyl- DTXSID30147558

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
15
Fraction Csp3
0.52
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
112.3
TPSA
64.16

LogP / Solubility

WLOGP
3.45
MLOGP
3.06
XLogP3
2.6
Consensus LogP
3.04
Log S (ESOL)
-4.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.56
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
Yes
Log Kp (skin permeation)
-2.66

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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