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CAS 535943-48-7 tert-butyl 2-(2-(pyridin-2-yl)disulfanyl)ethylcarbamate molecular structure lightbox
CAS RN: 535943-48-7

tert-butyl 2-(2-(pyridin-2-yl)disulfanyl)ethylcarbamate

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250406 1g Out of stock Inquiry
Batchno.20251129 250mg In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20260412 5g In stock Shanghai Inquiry
  • Product code: SSC-160955
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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 535943-48-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

535943-48-7 / tert-butyl N-[2-(pyridin-2-yldisulfanyl)ethyl]carbamate

Standard CAS: 535943-48-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
535943-48-7
Multi CAS
No
Molecular Formula
C12H18N2O2S2
Molecular Weight
286.400000
Exact Mass
286.080970
InChI
InChI=1S/C12H18N2O2S2/c1-12(2,3)16-11(15)14-8-9-17-18-10-6-4-5-7-13-10/h4-7H,8-9H2,1-3H3,(H,14,15)
InChIKey
YSGLXWZKQNQDAI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
76.79
TPSA
51.22

LogP / Solubility

WLOGP
3.35
MLOGP
2.96
XLogP3
2.4
Consensus LogP
2.9
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.9
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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