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CAS 851961-99-4 (2-pyridyldithio)-PEG4-alcohol molecular structure lightbox
CAS RN: 851961-99-4

(2-pyridyldithio)-PEG4-alcohol

  • Product code: SSC-193422
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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: 0.1g
  • 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 851961-99-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞95% 0 Out of Stock Shenzhen Inquiry

851961-99-4 / 2-[2-[2-[2-(pyridin-2-yldisulfanyl)ethoxy]ethoxy]ethoxy]ethanol

Standard CAS: 851961-99-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
851961-99-4
Multi CAS
No
Molecular Formula
C13H21NO4S2
Molecular Weight
319.400000
Exact Mass
319.091201
InChI
InChI=1S/C13H21NO4S2/c15-5-6-16-7-8-17-9-10-18-11-12-19-20-13-3-1-2-4-14-13/h1-4,15H,5-12H2
InChIKey
NVGYTXVKRZYCDH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
13
H-bond acceptors
7
H-bond donors
1
Molar refractivity
82.09
TPSA
60.81

LogP / Solubility

WLOGP
1.86
MLOGP
1.65
XLogP3
0.6
Consensus LogP
1.37
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.53
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.84
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.35

Drug-likeness / Medicinal Chemistry

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

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