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CAS 1312309-62-8 Mes-PEG2-acid t-butyl ester molecular structure lightbox
CAS RN: 1312309-62-8

Mes-PEG2-acid t-butyl ester

  • Product code: SSC-037958
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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 1312309-62-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
1g >95% 1 In Stock Shenzhen Inquiry
5g >95% 1 In Stock Shanghai Inquiry

1312309-62-8 / tert-butyl 3-[2-(2-methylsulfonyloxyethoxy)ethoxy]propanoate

Standard CAS: 1312309-62-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1312309-62-8
Multi CAS
No
Molecular Formula
C12H24O7S
Molecular Weight
312.380000
Exact Mass
312.124274
SMILES
CC(C)(C)OC(=O)CCOCCOCCOS(=O)(=O)C
InChI
InChI=1S/C12H24O7S/c1-12(2,3)19-11(13)5-6-16-7-8-17-9-10-18-20(4,14)15/h5-10H2,1-4H3
InChIKey
SXMMBKJCRVIEEX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.92
Rotatable bonds
10
H-bond acceptors
7
Molar refractivity
72.9
TPSA
88.13

LogP / Solubility

WLOGP
0.73
MLOGP
0.65
XLogP3
0.2
Consensus LogP
0.53
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.49
Class (SILICOS-IT)
Poorly 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)
-4.11

Drug-likeness / Medicinal Chemistry

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

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