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CAS 112241-19-7 4-succinimidyloxycarbonyl-alpha-methyl-alpha(2-pyridyldithio)toluene molecular structure lightbox
CAS RN: 112241-19-7

4-succinimidyloxycarbonyl-alpha-methyl-alpha(2-pyridyldithio)toluene

Product Availability

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6 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251211 100mg Out of stock Inquiry
Batchno.20260425 1g Out of stock Inquiry
Batchno.20250324 250mg Out of stock Inquiry
Batchno.20260405 25mg Out of stock Inquiry
Batchno.20250306 50mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260617 25mg / 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-012700
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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: ≥95%
  • 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 112241-19-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

112241-19-7 / (2,5-dioxopyrrolidin-1-yl) 4-[1-(pyridin-2-yldisulfanyl)ethyl]benzoate

SMPT | 4-Succinimidyloxycarbonyl-alpha-methyl-alpha(2-pyridyldithio)toluene | RefChem:100482

Standard CAS: 112241-19-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
112241-19-7
Multi CAS
Yes
Molecular Formula
C18H16N2O4S2
Molecular Weight
388.500000
Exact Mass
388.055149
SMILES
CC(C1=CC=C(C=C1)C(=O)ON2C(=O)CCC2=O)SSC3=CC=CC=N3
InChI
InChI=1S/C18H16N2O4S2/c1-12(25-26-15-4-2-3-11-19-15)13-5-7-14(8-6-13)18(23)24-20-16(21)9-10-17(20)22/h2-8,11-12H,9-10H2,1H3
InChIKey
GKSPIZSKQWTXQG-UHFFFAOYSA-N
Synonyms
SMPT 4-Succinimidyloxycarbonyl-alpha-methyl-alpha(2-pyridyldithio)toluene RefChem:100482 (2,5-dioxopyrrolidin-1-yl) 4-[1-(pyridin-2-yldisulfanyl)ethyl]benzoate MFCD00083161

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.22
Rotatable bonds
6
H-bond acceptors
7
Molar refractivity
99.04
TPSA
76.57

LogP / Solubility

WLOGP
3.8
MLOGP
3.37
XLogP3
2.6
Consensus LogP
3.26
Log S (ESOL)
-4.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.06
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.39

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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