CAS RN: 117976-47-3
Rabeprazole Sulfone
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260331 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS117976-47-3
- Purity/Analytical Methods: >99.0%
117976-47-3 / 2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfonyl]-1H-benzimidazole
Rabeprazole Sulfone | Rabeprazole impurity D | UNII-I2E100O20P
Basic Information
CAS
117976-47-3
Multi CAS
No
Molecular Formula
C18H21N3O4S
Molecular Weight
375.400000
Exact Mass
375.125277
SMILES
CC1=C(C=CN=C1CS(=O)(=O)C2=NC3=CC=CC=C3N2)OCCCOC
InChI
InChI=1S/C18H21N3O4S/c1-13-16(19-9-8-17(13)25-11-5-10-24-2)12-26(22,23)18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21)
InChIKey
KNYNPBSPFHFPML-UHFFFAOYSA-N
Synonyms
Rabeprazole Sulfone
Rabeprazole impurity D
UNII-I2E100O20P
I2E100O20P
Rabeprazole impurity D [USP-MC]
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
15
Fraction Csp3
0.33
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
1
Molar refractivity
97.95
TPSA
94.17
LogP / Solubility
WLOGP
2.66
MLOGP
2.36
XLogP3
2.1
Consensus LogP
2.37
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.26
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)
-3.12
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
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![CAS 118000-40-1 2-(CHLOROMETHYL)-6-METHYLIMIDAZO[1,2-A]PYRIDINE HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/118000-40-1.gif)