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CAS 1314899-50-7 3-Hydroxy-2-(1-iMidazolyl)propanoic Acid molecular structure lightbox
CAS RN: 1314899-50-7

3-Hydroxy-2-(1-iMidazolyl)propanoic Acid

  • Product code: SSC-038508
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1314899-50-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shenzhen Inquiry
0.25g ≥95% 1 In Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1314899-50-7 / 3-hydroxy-2-imidazol-1-ylpropanoic acid

Standard CAS: 1314899-50-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1314899-50-7
Multi CAS
No
Molecular Formula
C6H8N2O3
Molecular Weight
156.140000
Exact Mass
156.053492
SMILES
C1=CN(C=N1)C(CO)C(=O)O
InChI
InChI=1S/C6H8N2O3/c9-3-5(6(10)11)8-2-1-7-4-8/h1-2,4-5,9H,3H2,(H,10,11)
InChIKey
COVAWTFHNHDTAA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
35.99
TPSA
75.35

LogP / Solubility

WLOGP
-0.5
MLOGP
-0.44
XLogP3
-0.9
Consensus LogP
-0.61
Log S (ESOL)
-0.63
Class (ESOL)
Very soluble
Log S (Ali)
-0.48
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.62
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)
-4.03

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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