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CAS 317807-10-6 rac 4-Desmethoxy-4-nitro Omeprazole molecular structure lightbox
CAS RN: 317807-10-6

rac 4-Desmethoxy-4-nitro Omeprazole

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250404 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-137202
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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: 1g
  • 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 317807-10-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

317807-10-6 / 2-[(3,5-dimethyl-4-nitro-2-pyridinyl)methylsulfinyl]-6-methoxy-1H-benzimidazole

Standard CAS: 317807-10-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
317807-10-6
Multi CAS
Yes
Molecular Formula
C16H16N4O4S
Molecular Weight
360.400000
Exact Mass
360.089226
InChI
InChI=1S/C16H16N4O4S/c1-9-7-17-14(10(2)15(9)20(21)22)8-25(23)16-18-12-5-4-11(24-3)6-13(12)19-16/h4-7H,8H2,1-3H3,(H,18,19)
InChIKey
PFDONLPWKWJOCD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
15
Fraction Csp3
0.25
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
1
Molar refractivity
93.12
TPSA
111.01

LogP / Solubility

WLOGP
2.8
MLOGP
2.48
XLogP3
2.1
Consensus LogP
2.46
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.93
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)
-2.93

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
3

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