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CAS 1817735-30-0 Propargyl-PEG1-SS-PEG1-PFP ester molecular structure lightbox
CAS RN: 1817735-30-0

Propargyl-PEG1-SS-PEG1-PFP ester

  • Product code: SSC-082593
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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
  • Available purity: >95%
  • Inventory rows with stock: 2
  • 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 1817735-30-0
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

1817735-30-0 / (2,3,4,5,6-pentafluorophenyl) 3-[2-(2-prop-2-ynoxyethyldisulfanyl)ethoxy]propanoate

Standard CAS: 1817735-30-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1817735-30-0
Multi CAS
No
Molecular Formula
C16H15F5O4S2
Molecular Weight
430.400000
Exact Mass
430.033192
SMILES
C#CCOCCSSCCOCCC(=O)OC1=C(C(=C(C(=C1F)F)F)F)F
InChI
InChI=1S/C16H15F5O4S2/c1-2-4-23-6-8-26-27-9-7-24-5-3-10(22)25-16-14(20)12(18)11(17)13(19)15(16)21/h1H,3-9H2
InChIKey
BNSPBJFNPGXULZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
12
H-bond acceptors
6
Molar refractivity
91.87
TPSA
44.76

LogP / Solubility

WLOGP
3.73
MLOGP
3.31
XLogP3
2.6
Consensus LogP
3.21
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.99
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.7

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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