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CAS 1198080-04-4 Propargyl-PEG6-amine molecular structure lightbox
CAS RN: 1198080-04-4

Propargyl-PEG6-amine

  • Product code: SSC-020567
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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, 5g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • 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 1198080-04-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 2 In Stock Beijing Inquiry
0.25g >97% 2 In Stock Hong Kong Inquiry
1g >97% 2 In Stock Shenzhen Inquiry
5g >97% 2 In Stock Shanghai Inquiry

1198080-04-4 / 2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine

Propargyl-PEG6-amine | Propargyl-PEG6-NH2 | 3,6,9,12,15,18-Hexaoxaheneicos-20-yn-1-amine

Standard CAS: 1198080-04-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1198080-04-4
Multi CAS
No
Molecular Formula
C15H29NO6
Molecular Weight
319.390000
Exact Mass
319.199488
SMILES
C#CCOCCOCCOCCOCCOCCOCCN
InChI
InChI=1S/C15H29NO6/c1-2-4-17-6-8-19-10-12-21-14-15-22-13-11-20-9-7-18-5-3-16/h1H,3-16H2
InChIKey
USTJDUXGVRIRRT-UHFFFAOYSA-N
Synonyms
Propargyl-PEG6-amine Propargyl-PEG6-NH2 3,6,9,12,15,18-Hexaoxaheneicos-20-yn-1-amine MFCD29042376 3,6,9,12,15,18-Hexaoxahenicos-20-yn-1-amine

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
0.87
Rotatable bonds
18
H-bond acceptors
7
H-bond donors
1
Molar refractivity
82.8
TPSA
81.4

LogP / Solubility

WLOGP
-0.32
MLOGP
-0.27
XLogP3
-1.5
Consensus LogP
-0.7
Log S (ESOL)
-0.43
Class (ESOL)
Very soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-3.63
Class (SILICOS-IT)
Poorly 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)
-4.9

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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