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CAS 2169967-47-7 MPEG16-Propyne molecular structure lightbox
CAS RN: 2169967-47-7

MPEG16-Propyne

  • Product code: SSC-104433
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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 2169967-47-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Hong Kong Inquiry
0.25g >95% 5 In Stock Hong Kong Inquiry
1g >95% 5 In Stock Shanghai Inquiry

2169967-47-7 / 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yne

Standard CAS: 2169967-47-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2169967-47-7
Multi CAS
No
Molecular Formula
C36H70O17
Molecular Weight
774.900000
Exact Mass
774.461301
SMILES
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC#C
InChI
InChI=1S/C36H70O17/c1-3-4-38-7-8-40-11-12-42-15-16-44-19-20-46-23-24-48-27-28-50-31-32-52-35-36-53-34-33-51-30-29-49-26-25-47-22-21-45-18-17-43-14-13-41-10-9-39-6-5-37-2/h1H,4-36H2,2H3
InChIKey
KXGWRMYKHLIJGH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
53
Fraction Csp3
0.94
Rotatable bonds
49
H-bond acceptors
17
Molar refractivity
193.81
TPSA
156.91

LogP / Solubility

WLOGP
0.53
MLOGP
0.54
XLogP3
-2.2
Consensus LogP
-0.38
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-6.3
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.02
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-7.07

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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