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CAS 923176-95-8 [(ETHYLSULFONYL)AMINO]ACETIC ACID molecular structure lightbox
CAS RN: 923176-95-8

[(ETHYLSULFONYL)AMINO]ACETIC ACID

  • Product code: SSC-205919
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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
  • 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 923176-95-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

923176-95-8 / 2-(ethylsulfonylamino)acetic acid

Standard CAS: 923176-95-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
923176-95-8
Multi CAS
No
Molecular Formula
C4H9NO4S
Molecular Weight
167.190000
Exact Mass
167.025229
InChI
InChI=1S/C4H9NO4S/c1-2-10(8,9)5-3-4(6)7/h5H,2-3H2,1H3,(H,6,7)
InChIKey
BIMGNSFDPAFWTK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.75
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
35.1
TPSA
83.47

LogP / Solubility

WLOGP
-0.99
MLOGP
-0.87
XLogP3
-0.7
Consensus LogP
-0.85
Log S (ESOL)
0.01
Class (ESOL)
Highly soluble
Log S (Ali)
-0.22
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.41
Class (SILICOS-IT)
Very 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)
-4.44

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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