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CAS 102625-64-9 Pantoprazole Sulfide molecular structure lightbox
CAS RN: 102625-64-9

Pantoprazole Sulfide

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260403 100g In stock Shanghai, Shenzhen Inquiry
Batchno.20260330 25g In stock Shanghai Inquiry
Batchno.20250106 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260123 5g / 25g / 100g / 500g Out of stock 8-10 business days Inquiry
  • Product code: SSC-003903
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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, 100g
  • 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 102625-64-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Shenzhen Inquiry
100g ≥97% 0 Out of Stock Beijing Inquiry

102625-64-9 / 6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfanyl]-1H-benzimidazole

Pantoprazole sulfide | Pantoprazole thioether | 5-Difluoromethoxy-2-{[(3,4-dimethoxy-2-pyridinyl)methyl]thio}-1H-benzimidazole

Standard CAS: 102625-64-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
102625-64-9
Multi CAS
Yes
Molecular Formula
C16H15F2N3O3S
Molecular Weight
367.400000
Exact Mass
367.080219
SMILES
COC1=C(C(=NC=C1)CSC2=NC3=C(N2)C=C(C=C3)OC(F)F)OC
InChI
InChI=1S/C16H15F2N3O3S/c1-22-13-5-6-19-12(14(13)23-2)8-25-16-20-10-4-3-9(24-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3,(H,20,21)
InChIKey
UKILEIRWOYBGEJ-UHFFFAOYSA-N
Synonyms
Pantoprazole sulfide Pantoprazole thioether 5-Difluoromethoxy-2-{[(3,4-dimethoxy-2-pyridinyl)methyl]thio}-1H-benzimidazole UNII-BWZ6X03HIB BWZ6X03HIB

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
15
Fraction Csp3
0.25
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
1
Molar refractivity
89.63
TPSA
69.26

LogP / Solubility

WLOGP
3.87
MLOGP
3.42
XLogP3
3.7
Consensus LogP
3.66
Log S (ESOL)
-4.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.1
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
Yes
Log Kp (skin permeation)
-2.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
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] H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal] H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501

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