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CAS 25023-22-7 IMIDAZOL-1-YL-ACETIC ACID METHYL ESTER molecular structure lightbox
CAS RN: 25023-22-7

IMIDAZOL-1-YL-ACETIC ACID METHYL ESTER

  • Product code: SSC-120421
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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, 5g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • 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 25023-22-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Beijing Inquiry
0.25g >97% 1 In Stock Hong Kong Inquiry
1g >97% 1 In Stock Beijing Inquiry
5g >97% 0 Out of Stock Hong Kong Inquiry
10g >97% 0 Out of Stock Hong Kong Inquiry
25g >97% 0 Out of Stock Shanghai Inquiry

25023-22-7 / methyl 2-imidazol-1-ylacetate

Standard CAS: 25023-22-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25023-22-7
Multi CAS
No
Molecular Formula
C6H8N2O2
Molecular Weight
140.140000
Exact Mass
140.058578
SMILES
COC(=O)CN1C=CN=C1
InChI
InChI=1S/C6H8N2O2/c1-10-6(9)4-8-3-2-7-5-8/h2-3,5H,4H2,1H3
InChIKey
MENQOXBTQWXPJA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
34.24
TPSA
44.12

LogP / Solubility

WLOGP
0.06
MLOGP
0.04
Consensus LogP
0.03
Log S (ESOL)
-0.98
Class (ESOL)
Very soluble
Log S (Ali)
-0.75
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.86
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)
-3.54

Drug-likeness / Medicinal Chemistry

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

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