CAS RN: 924663-37-6

Rebeprazole sulfone N-oxide

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Batchno.20250414 10g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS924663-37-6
  • Purity/Analytical Methods: >99.0%
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924663-37-6 / 2-[[4-(3-methoxypropoxy)-3-methyl-1-oxidopyridin-1-ium-2-yl]methylsulfonyl]-1H-benzimidazole

Standard CAS: 924663-37-6 Multi CAS: Yes

Basic Information

CAS
924663-37-6
Multi CAS
Yes
Molecular Formula
C18H21N3O5S
Molecular Weight
391.400000
Exact Mass
391.120192
InChI
InChI=1S/C18H21N3O5S/c1-13-16(21(22)9-8-17(13)26-11-5-10-25-2)12-27(23,24)18-19-14-6-3-4-7-15(14)20-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,19,20)
InChIKey
FZBHTBNDQGWAAS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
15
Fraction Csp3
0.33
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
1
Molar refractivity
99.11
TPSA
108.22

LogP / Solubility

WLOGP
1.89
MLOGP
1.69
XLogP3
1.1
Consensus LogP
1.56
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.74
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.76

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
2.5

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