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CAS 71236-04-9 L-Alanine, N-(hydroxyacetyl)- (9CI) molecular structure lightbox
CAS RN: 71236-04-9

L-Alanine, N-(hydroxyacetyl)- (9CI)

  • Product code: SSC-180893
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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 71236-04-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

71236-04-9 / (2S)-2-[(2-hydroxyacetyl)amino]propanoic acid

Standard CAS: 71236-04-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
71236-04-9
Multi CAS
No
Molecular Formula
C5H9NO4
Molecular Weight
147.130000
Exact Mass
147.053158
InChI
InChI=1S/C5H9NO4/c1-3(5(9)10)6-4(8)2-7/h3,7H,2H2,1H3,(H,6,8)(H,9,10)/t3-/m0/s1
InChIKey
ZQZNLPKWSDZJMN-VKHMYHEASA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
32.33
TPSA
86.63

LogP / Solubility

WLOGP
-1.43
MLOGP
-1.27
XLogP3
-1.1
Consensus LogP
-1.27
Log S (ESOL)
0.35
Class (ESOL)
Highly soluble
Log S (Ali)
0.27
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.21
Class (SILICOS-IT)
Highly 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)
-4.63

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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