CAS RN: 92340-57-3

5-HYDROXY OMEPRAZOLE

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Batchno.20250907 1mg In stock Shanghai Inquiry
  • Product code: starshine_CAS92340-57-3
  • Purity/Analytical Methods: >99.0%
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92340-57-3 / [4-methoxy-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-5-methyl-3-pyridinyl]methanol

Standard CAS: 92340-57-3 Multi CAS: Yes

Basic Information

CAS
92340-57-3
Multi CAS
Yes
Molecular Formula
C17H19N3O4S
Molecular Weight
361.400000
Exact Mass
361.109627
InChI
InChI=1S/C17H19N3O4S/c1-10-15(18-7-11(8-21)16(10)24-3)9-25(22)17-19-13-5-4-12(23-2)6-14(13)20-17/h4-7,21H,8-9H2,1-3H3,(H,19,20)
InChIKey
CMZHQFXXAAIBKE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
15
Fraction Csp3
0.29
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
2
Molar refractivity
94.21
TPSA
97.33

LogP / Solubility

WLOGP
2.08
MLOGP
1.85
XLogP3
1
Consensus LogP
1.64
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.46
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
No
Log Kp (skin permeation)
-3.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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