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
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
74654-05-0 / 2-[2-(2-methoxyethoxy)ethoxy]ethyl methanesulfonate
Basic Information
CAS
74654-05-0
Multi CAS
Yes
Molecular Formula
C8H18O6S
Molecular Weight
242.290000
Exact Mass
242.082409
InChI
InChI=1S/C8H18O6S/c1-11-3-4-12-5-6-13-7-8-14-15(2,9)10/h3-8H2,1-2H3
InChIKey
ZMRMMAUVJFLPIV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
10
H-bond acceptors
6
Molar refractivity
54.31
TPSA
71.06
LogP / Solubility
WLOGP
-0.36
MLOGP
-0.31
XLogP3
-0.8
Consensus LogP
-0.49
Log S (ESOL)
-0.46
Class (ESOL)
Very soluble
Log S (Ali)
-1.29
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.14
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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