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CAS 1581248-63-6 Tos-PEG4-CH2CO2H molecular structure lightbox
CAS RN: 1581248-63-6

Tos-PEG4-CH2CO2H

  • Product code: SSC-066687
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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 1581248-63-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Shenzhen Inquiry
0.25g >95% 2 In Stock Shanghai Inquiry
1g >95% 2 In Stock Hong Kong Inquiry

1581248-63-6 / 2-[2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]ethoxy]acetic acid

Standard CAS: 1581248-63-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1581248-63-6
Multi CAS
No
Molecular Formula
C15H22O8S
Molecular Weight
362.400000
Exact Mass
362.103539
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCC(=O)O
InChI
InChI=1S/C15H22O8S/c1-13-2-4-14(5-3-13)24(18,19)23-11-10-21-7-6-20-8-9-22-12-15(16)17/h2-5H,6-12H2,1H3,(H,16,17)
InChIKey
BOUJNGOUZPSTFF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
13
H-bond acceptors
7
H-bond donors
1
Molar refractivity
84.41
TPSA
108.36

LogP / Solubility

WLOGP
0.83
MLOGP
0.75
XLogP3
0.6
Consensus LogP
0.73
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.27
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)
-4.34

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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