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CAS 3054-51-1 N-acetylmethionine sulfoxide molecular structure lightbox
CAS RN: 3054-51-1

N-acetylmethionine sulfoxide

  • Product code: SSC-135179
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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 3054-51-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

3054-51-1 / 2-acetamido-4-methylsulfinylbutanoic acid

Standard CAS: 3054-51-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3054-51-1
Multi CAS
Yes
Molecular Formula
C7H13NO4S
Molecular Weight
207.250000
Exact Mass
207.056529
InChI
InChI=1S/C7H13NO4S/c1-5(9)8-6(7(10)11)3-4-13(2)12/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)
InChIKey
NPIMMZJBURSMON-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.71
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
48.79
TPSA
83.47

LogP / Solubility

WLOGP
-0.66
MLOGP
-0.58
XLogP3
-1.4
Consensus LogP
-0.88
Log S (ESOL)
-0.38
Class (ESOL)
Very soluble
Log S (Ali)
-0.79
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.06
Class (SILICOS-IT)
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)
-4.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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