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CAS 58742-72-6 N-Methyl-N-(Methylsulfonyl)glycine Ethyl Ester molecular structure lightbox
CAS RN: 58742-72-6

N-Methyl-N-(Methylsulfonyl)glycine Ethyl Ester

  • Product code: SSC-167060
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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: 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 58742-72-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

58742-72-6 / ethyl 2-[methyl(methylsulfonyl)amino]acetate

Standard CAS: 58742-72-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
58742-72-6
Multi CAS
No
Molecular Formula
C6H13NO4S
Molecular Weight
195.240000
Exact Mass
195.056529
InChI
InChI=1S/C6H13NO4S/c1-4-11-6(8)5-7(2)12(3,9)10/h4-5H2,1-3H3
InChIKey
KDGBBRFBCPCHDS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.83
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
44.11
TPSA
63.68

LogP / Solubility

WLOGP
-0.56
MLOGP
-0.49
XLogP3
-0.2
Consensus LogP
-0.42
Log S (ESOL)
-0.43
Class (ESOL)
Very soluble
Log S (Ali)
-0.76
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.95
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.31

Drug-likeness / Medicinal Chemistry

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

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