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CAS 7728-98-5 S-methylcysteine molecular structure lightbox
CAS RN: 7728-98-5

S-methylcysteine

  • Product code: SSC-186749
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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: ＞97%
  • 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 7728-98-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

7728-98-5 / (2R)-2-amino-3-methylsulfanylpropanoic acid

Standard CAS: 7728-98-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
7728-98-5
Multi CAS
Yes
Molecular Formula
C4H9NO2S
Molecular Weight
135.190000
Exact Mass
135.035400
InChI
InChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)
InChIKey
IDIDJDIHTAOVLG-UHFFFAOYSA-N

Physical Properties

Physical Description
Beige powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
33.99
TPSA
63.32

LogP / Solubility

WLOGP
-0.24
MLOGP
-0.22
XLogP3
-2.7
Consensus LogP
-1.05
Log S (ESOL)
-0.33
Class (ESOL)
Very soluble
Log S (Ali)
-0.5
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.7
Class (SILICOS-IT)
Very 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)
-3.71

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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