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CAS 42537-72-4 N-Methyl-L-Methionine molecular structure lightbox
CAS RN: 42537-72-4

N-Methyl-L-Methionine

  • Product code: SSC-150832
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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 42537-72-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

42537-72-4 / 2-(methylamino)-4-methylsulfanylbutanoic acid

Standard CAS: 42537-72-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
42537-72-4
Multi CAS
Yes
Molecular Formula
C6H13NO2S
Molecular Weight
163.240000
Exact Mass
163.066700
InChI
InChI=1S/C6H13NO2S/c1-7-5(6(8)9)3-4-10-2/h5,7H,3-4H2,1-2H3,(H,8,9)/t5-/m0/s1
InChIKey
YAXAFCHJCYILRU-YFKPBYRVSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
43.48
TPSA
49.33

LogP / Solubility

WLOGP
0.41
MLOGP
0.36
XLogP3
-1.8
Consensus LogP
-0.34
Log S (ESOL)
-0.78
Class (ESOL)
Very soluble
Log S (Ali)
-1.2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.66
Class (SILICOS-IT)
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)
-3.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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