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CAS 117977-21-6 Rabeprazole Sulfide molecular structure lightbox
CAS RN: 117977-21-6

Rabeprazole Sulfide

Product Availability

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8 package records8 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250702 1g In stock Inquiry
Batchno.20260504 250mg In stock Inquiry
Batchno.20251113 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250709 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250406 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250501 500g In stock Shenzhen, Chengdu Inquiry
Batchno.20250903 5g In stock Shanghai, Shenzhen Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250619 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Chongqing Inquiry
  • Product code: SSC-017822
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 25g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 117977-21-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Hong Kong Inquiry

117977-21-6 / 2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfanyl]-1H-benzimidazole

Rabeprazole thioether | rabeprazole-thioether | Rabeprazole impurity E

Standard CAS: 117977-21-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
117977-21-6
Multi CAS
Yes
Molecular Formula
C18H21N3O2S
Molecular Weight
343.400000
Exact Mass
343.135448
SMILES
CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)OCCCOC
InChI
InChI=1S/C18H21N3O2S/c1-13-16(19-9-8-17(13)23-11-5-10-22-2)12-24-18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21)
InChIKey
BSXAHDOWMOSVAP-UHFFFAOYSA-N
Synonyms
Rabeprazole thioether rabeprazole-thioether Rabeprazole impurity E 304S7E320P 1H-Benzimidazole, 2-(((4-(3-methoxypropoxy)-3-methyl-2-pyridinyl)methyl)thio)-

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
15
Fraction Csp3
0.33
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
1
Molar refractivity
96.62
TPSA
60.03

LogP / Solubility

WLOGP
3.97
MLOGP
3.51
XLogP3
3.3
Consensus LogP
3.59
Log S (ESOL)
-4.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.15
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.99

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
H315 (92.9%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (92.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (92.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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