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CAS 1951438-84-8 Propargyl-PEG6-acid molecular structure lightbox
CAS RN: 1951438-84-8

Propargyl-PEG6-acid

  • Product code: SSC-092029
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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: >95%
  • Inventory rows with stock: 3
  • 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 1951438-84-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Hong Kong Inquiry
0.25g >95% 2 In Stock Shenzhen Inquiry
1g >95% 2 In Stock Hong Kong Inquiry

1951438-84-8 / 3-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid

Standard CAS: 1951438-84-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1951438-84-8
Multi CAS
No
Molecular Formula
C16H28O8
Molecular Weight
348.390000
Exact Mass
348.178418
SMILES
C#CCOCCOCCOCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C16H28O8/c1-2-4-19-6-8-21-10-12-23-14-15-24-13-11-22-9-7-20-5-3-16(17)18/h1H,3-15H2,(H,17,18)
InChIKey
XRSJYQQOJNYUDV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.81
Rotatable bonds
19
H-bond acceptors
7
H-bond donors
1
Molar refractivity
86
TPSA
92.68

LogP / Solubility

WLOGP
0.19
MLOGP
0.19
XLogP3
-1
Consensus LogP
-0.21
Log S (ESOL)
-0.87
Class (ESOL)
Very soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-4.37
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.71

Drug-likeness / Medicinal Chemistry

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

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