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CAS 1948-56-7 dehydroalanine molecular structure lightbox
CAS RN: 1948-56-7

dehydroalanine

  • Product code: SSC-091867
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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 1948-56-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1948-56-7 / 2-aminoprop-2-enoic acid

Standard CAS: 1948-56-7 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
1948-56-7
Multi CAS
No
Molecular Formula
C3H5NO2
Molecular Weight
87.080000
Exact Mass
87.032028
SMILES
C=C(C(=O)O)N
InChI
InChI=1S/C3H5NO2/c1-2(4)3(5)6/h1,4H2,(H,5,6)
InChIKey
UQBOJOOOTLPNST-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
20.96
TPSA
63.32

LogP / Solubility

WLOGP
-0.46
MLOGP
-0.42
XLogP3
-0.1
Consensus LogP
-0.33
Log S (ESOL)
-0.03
Class (ESOL)
Very soluble
Log S (Ali)
0.06
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.03
Class (SILICOS-IT)
Highly 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)
-3.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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