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CAS 1935075-34-5 Ethanol, 2-(2-bromoethoxy)-, 1-methanesulfonate molecular structure lightbox
CAS RN: 1935075-34-5

Ethanol, 2-(2-bromoethoxy)-, 1-methanesulfonate

  • Product code: SSC-091005
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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: 1g
  • 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 1935075-34-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1935075-34-5 / 2-(2-bromoethoxy)ethyl methanesulfonate

Standard CAS: 1935075-34-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1935075-34-5
Multi CAS
No
Molecular Formula
C5H11BrO4S
Molecular Weight
247.110000
Exact Mass
245.956140
SMILES
CS(=O)(=O)OCCOCCBr
InChI
InChI=1S/C5H11BrO4S/c1-11(7,8)10-5-4-9-3-2-6/h2-5H2,1H3
InChIKey
DADINSRJAJTRQY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
45.41
TPSA
52.6

LogP / Solubility

WLOGP
0.37
MLOGP
0.33
XLogP3
0.3
Consensus LogP
0.33
Log S (ESOL)
-1.21
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.3
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)
-3.96

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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