CAS RN: 168167-42-8
4-Desmethoxypropoxyl-4-chloro Rabeprazole
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.20251018 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS168167-42-8
- Purity/Analytical Methods: >99.0%
168167-42-8 / 2-[(4-chloro-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
Basic Information
CAS
168167-42-8
Multi CAS
No
Molecular Formula
C14H12ClN3OS
Molecular Weight
305.800000
Exact Mass
305.038961
SMILES
CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)Cl
InChI
InChI=1S/C14H12ClN3OS/c1-9-10(15)6-7-16-13(9)8-20(19)14-17-11-4-2-3-5-12(11)18-14/h2-7H,8H2,1H3,(H,17,18)
InChIKey
RAPCQINSRSZSKF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
15
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
80.19
TPSA
58.64
LogP / Solubility
WLOGP
3.23
MLOGP
2.85
XLogP3
2.3
Consensus LogP
2.79
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.69
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
No
Log Kp (skin permeation)
-2.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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