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CAS 888009-94-7 Tosyl-propargyl-triethylene glycol molecular structure lightbox
CAS RN: 888009-94-7

Tosyl-propargyl-triethylene glycol

  • Product code: SSC-200532
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 888009-94-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 2 In Stock Shenzhen Inquiry
0.1g >97% 2 In Stock Shanghai Inquiry
0.25g -- 2 In Stock Shenzhen Inquiry
0.25g >97% 2 In Stock Shanghai Inquiry
1g -- 2 In Stock Hong Kong Inquiry
1g >97% 2 In Stock Shenzhen Inquiry

888009-94-7 / 2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl 4-methylbenzenesulfonate

Standard CAS: 888009-94-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
888009-94-7
Multi CAS
Yes
Molecular Formula
C16H22O6S
Molecular Weight
342.400000
Exact Mass
342.113710
InChI
InChI=1S/C16H22O6S/c1-3-8-19-9-10-20-11-12-21-13-14-22-23(17,18)16-6-4-15(2)5-7-16/h1,4-7H,8-14H2,2H3
InChIKey
YDHVZZKMXDDQCB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
12
H-bond acceptors
6
Molar refractivity
85.61
TPSA
71.06

LogP / Solubility

WLOGP
1.38
MLOGP
1.23
XLogP3
1.1
Consensus LogP
1.24
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.47
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)
-3.83

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
2.5

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