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CAS 138530-95-7 (S)-Lansoprazole molecular structure lightbox
CAS RN: 138530-95-7

(S)-Lansoprazole

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260325 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20251102 1g In stock Shanghai Inquiry
Batchno.20250803 250mg In stock Shanghai Inquiry
Batchno.20251214 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS138530-95-7
  • Purity/Analytical Methods: >99.0%
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138530-95-7 / 2-[(S)-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole

Standard CAS: 138530-95-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
138530-95-7
Multi CAS
No
Molecular Formula
C16H14F3N3O2S
Molecular Weight
369.400000
Exact Mass
369.075882
SMILES
CC1=C(C=CN=C1C[S@](=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F
InChI
InChI=1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)/t25-/m0/s1
InChIKey
MJIHNNLFOKEZEW-VWLOTQADSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
15
Fraction Csp3
0.25
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
86.73
TPSA
67.87

LogP / Solubility

WLOGP
3.52
MLOGP
3.11
XLogP3
2.8
Consensus LogP
3.14
Log S (ESOL)
-4.46
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.58
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.48

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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