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CAS 80322-82-3 Triethylene Glycol Dimethanesulfonate molecular structure lightbox
CAS RN: 80322-82-3

Triethylene Glycol Dimethanesulfonate

  • Product code: SSC-189231
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 80322-82-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

80322-82-3 / 2-[2-(2-methylsulfonyloxyethoxy)ethoxy]ethyl methanesulfonate

Standard CAS: 80322-82-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
80322-82-3
Multi CAS
Yes
Molecular Formula
C8H18O8S2
Molecular Weight
306.400000
Exact Mass
306.044310
InChI
InChI=1S/C8H18O8S2/c1-17(9,10)15-7-5-13-3-4-14-6-8-16-18(2,11)12/h3-8H2,1-2H3
InChIKey
MPXIHGYFUPBCPK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
1
Rotatable bonds
11
H-bond acceptors
8
Molar refractivity
63.23
TPSA
105.2

LogP / Solubility

WLOGP
-1.03
MLOGP
-0.89
XLogP3
-1.2
Consensus LogP
-1.04
Log S (ESOL)
-0.37
Class (ESOL)
Very soluble
Log S (Ali)
-1.33
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.12
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
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)
-5.32

Drug-likeness / Medicinal Chemistry

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

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