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CAS 131926-98-2 5-HYDROXY LANSOPRAZOLE molecular structure lightbox
CAS RN: 131926-98-2

5-HYDROXY LANSOPRAZOLE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260302 1mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS131926-98-2
  • Purity/Analytical Methods: >99.0%
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131926-98-2 / 2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-3H-benzimidazol-5-ol

Standard CAS: 131926-98-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
131926-98-2
Multi CAS
No
Molecular Formula
C16H14F3N3O3S
Molecular Weight
385.400000
Exact Mass
385.070797
SMILES
CC1=C(C=CN=C1CS(=O)C2=NC3=C(N2)C=C(C=C3)O)OCC(F)(F)F
InChI
InChI=1S/C16H14F3N3O3S/c1-9-13(20-5-4-14(9)25-8-16(17,18)19)7-26(24)15-21-11-3-2-10(23)6-12(11)22-15/h2-6,23H,7-8H2,1H3,(H,21,22)
InChIKey
IDCLTMRSSAXUNY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
15
Fraction Csp3
0.25
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
88.39
TPSA
88.1

LogP / Solubility

WLOGP
3.22
MLOGP
2.86
XLogP3
2.7
Consensus LogP
2.93
Log S (ESOL)
-4.36
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.44
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)
-2.78

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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