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CAS 1151989-04-6 4-Nitrophenyl 4-(pyridin-2-yldisulfanyl)benzyl carbonate molecular structure lightbox
CAS RN: 1151989-04-6

4-Nitrophenyl 4-(pyridin-2-yldisulfanyl)benzyl carbonate

Product Availability

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7 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250621 100mg In stock Shanghai Inquiry
Batchno.20251130 1g Out of stock Inquiry
Batchno.20250401 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250402 25mg In stock Shanghai Inquiry
Batchno.20260211 50mg In stock Shanghai Inquiry
Batchno.20260428 50mg / 100mg / 250mg Out of stock 5-7 business days Inquiry
Batchno.20260403 5g Out of stock Inquiry
  • Product code: SSC-014880
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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 1151989-04-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1151989-04-6 / (4-nitrophenyl) [4-(pyridin-2-yldisulfanyl)phenyl]methyl carbonate

4-Nitrophenyl 4-(pyridin-2-yldisulfanyl)benzyl carbonate | MFCD32214872 | C19H14N2O5S2

Standard CAS: 1151989-04-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1151989-04-6
Multi CAS
No
Molecular Formula
C19H14N2O5S2
Molecular Weight
414.500000
Exact Mass
414.034414
SMILES
C1=CC=NC(=C1)SSC2=CC=C(C=C2)COC(=O)OC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H14N2O5S2/c22-19(26-16-8-6-15(7-9-16)21(23)24)25-13-14-4-10-17(11-5-14)27-28-18-3-1-2-12-20-18/h1-12H,13H2
InChIKey
VRPDVXLDCQQMEG-UHFFFAOYSA-N
Synonyms
4-Nitrophenyl 4-(pyridin-2-yldisulfanyl)benzyl carbonate MFCD32214872 C19H14N2O5S2 (4-nitrophenyl) [4-(pyridin-2-yldisulfanyl)phenyl]methyl carbonate SCHEMBL12575467

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
18
Fraction Csp3
0.05
Rotatable bonds
7
H-bond acceptors
8
Molar refractivity
106.3
TPSA
91.56

LogP / Solubility

WLOGP
5.5
MLOGP
4.87
XLogP3
4.8
Consensus LogP
5.06
Log S (ESOL)
-5.89
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.93
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.76
Class (SILICOS-IT)
Insoluble

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)
-1.34

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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