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CAS 104195-80-4 (2S,3S)-2-Amino-3-methoxybutanoic acid molecular structure lightbox
CAS RN: 104195-80-4

(2S,3S)-2-Amino-3-methoxybutanoic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250513 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-005956
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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 104195-80-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

104195-80-4 / (2S,3S)-2-amino-3-methoxybutanoic acid

(2S,3S)-2-Amino-3-methoxybutanoic acid | L-Allothreonine, O-methyl- | MFCD00142985

Standard CAS: 104195-80-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
104195-80-4
Multi CAS
Yes
Molecular Formula
C5H11NO3
Molecular Weight
133.150000
Exact Mass
133.073893
SMILES
C[C@@H]([C@@H](C(=O)O)N)OC
InChI
InChI=1S/C5H11NO3/c1-3(9-2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t3-,4-/m0/s1
InChIKey
FYCWLJLGIAUCCL-IMJSIDKUSA-N
Synonyms
(2S,3S)-2-Amino-3-methoxybutanoic acid L-Allothreonine, O-methyl- MFCD00142985 H-Allo-Thr(Me)-OH o-methyl-l-allothreonine

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
32.08
TPSA
72.55

LogP / Solubility

WLOGP
-0.57
MLOGP
-0.51
XLogP3
-3.1
Consensus LogP
-1.39
Log S (ESOL)
-0.11
Class (ESOL)
Very soluble
Log S (Ali)
-0.24
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.42
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)
-3.93

Drug-likeness / Medicinal Chemistry

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

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