CAS RN: 172152-50-0
Ilaprazole sodium
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250403 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS172152-50-0
- Purity/Analytical Methods: >99.0%
172152-50-0 / sodium 2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-5-pyrrol-1-ylbenzimidazol-3-ide
Basic Information
CAS
172152-50-0
Multi CAS
No
Molecular Formula
C19H17N4NaO2S
Molecular Weight
388.400000
Exact Mass
388.096991
SMILES
CC1=C(C=CN=C1CS(=O)C2=NC3=C([N-]2)C=C(C=C3)N4C=CC=C4)OC.[Na+]
InChI
InChI=1S/C19H17N4O2S.Na/c1-13-17(20-8-7-18(13)25-2)12-26(24)19-21-15-6-5-14(11-16(15)22-19)23-9-3-4-10-23;/h3-11H,12H2,1-2H3;/q-1;+1
InChIKey
ZQGDDMFDBZPGCD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
20
Fraction Csp3
0.16
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
100.03
TPSA
71.11
LogP / Solubility
WLOGP
0.01
MLOGP
0.03
XLogP3
0.01
Consensus LogP
0.02
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.08
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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