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CAS 1949793-62-7 Tos-PEG5-CH2COOtBu molecular structure lightbox
CAS RN: 1949793-62-7

Tos-PEG5-CH2COOtBu

  • Product code: SSC-091936
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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 1949793-62-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
1g >95% 1 In Stock Hong Kong Inquiry
5g >95% 1 In Stock Beijing Inquiry

1949793-62-7 / tert-butyl 2-[2-[2-[2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate

Standard CAS: 1949793-62-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1949793-62-7
Multi CAS
No
Molecular Formula
C23H38O10S
Molecular Weight
506.600000
Exact Mass
506.218569
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCOCCOCC(=O)OC(C)(C)C
InChI
InChI=1S/C23H38O10S/c1-20-5-7-21(8-6-20)34(25,26)32-18-17-30-14-13-28-10-9-27-11-12-29-15-16-31-19-22(24)33-23(2,3)4/h5-8H,9-19H2,1-4H3
InChIKey
SURYEYDXOMEIFQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
6
Fraction Csp3
0.7
Rotatable bonds
19
H-bond acceptors
10
Molar refractivity
124.26
TPSA
115.82

LogP / Solubility

WLOGP
2.13
MLOGP
1.91
XLogP3
1.7
Consensus LogP
1.91
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7
Class (SILICOS-IT)
Insoluble

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)
-4.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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