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CAS 1036204-60-0 Propargyl-PEG5-alcohol molecular structure lightbox
CAS RN: 1036204-60-0

Propargyl-PEG5-alcohol

  • Product code: SSC-005183
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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: >95%
  • 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 1036204-60-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Beijing Inquiry
0.25g >95% 5 In Stock Beijing Inquiry
1g >95% 5 In Stock Shenzhen Inquiry
5g >95% 2 In Stock Shanghai Inquiry

1036204-60-0 / 2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol

Propargyl-PEG5-oh | Propargyl-PEG6-alcohol | 3,6,9,12,15-PENTAOXAOCTADEC-17-YN-1-OL

Standard CAS: 1036204-60-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1036204-60-0
Multi CAS
No
Molecular Formula
C13H24O6
Molecular Weight
276.330000
Exact Mass
276.157288
SMILES
C#CCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C13H24O6/c1-2-4-15-6-8-17-10-12-19-13-11-18-9-7-16-5-3-14/h1,14H,3-13H2
InChIKey
IDULHQAZDNBPID-UHFFFAOYSA-N
Synonyms
Propargyl-PEG5-oh Propargyl-PEG6-alcohol 3,6,9,12,15-PENTAOXAOCTADEC-17-YN-1-OL MFCD27635181 Alkyne-PEG5-OH

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.85
Rotatable bonds
15
H-bond acceptors
6
H-bond donors
1
Molar refractivity
70.01
TPSA
66.38

LogP / Solubility

WLOGP
-0.31
MLOGP
-0.26
XLogP3
-1.1
Consensus LogP
-0.56
Log S (ESOL)
-0.37
Class (ESOL)
Very soluble
Log S (Ali)
-1.61
Class (Ali)
Soluble
Log S (SILICOS-IT)
-3
Class (SILICOS-IT)
Poorly 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)
-4.62

Drug-likeness / Medicinal Chemistry

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

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