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CAS 1564-48-3 (1H-IMIDAZOL-2-YL)-ACETIC ACID METHYL ESTER molecular structure lightbox
CAS RN: 1564-48-3

(1H-IMIDAZOL-2-YL)-ACETIC ACID METHYL ESTER

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250428 100mg Out of stock 8-10 business days Inquiry
Batchno.20251020 100mg In stock Shanghai Inquiry
Batchno.20260328 1g In stock Shanghai Inquiry
Batchno.20251224 250mg In stock Shanghai Inquiry
  • Product code: SSC-065379
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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 1564-48-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1564-48-3 / methyl 2-(1H-imidazol-2-yl)acetate

Standard CAS: 1564-48-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1564-48-3
Multi CAS
No
Molecular Formula
C6H8N2O2
Molecular Weight
140.140000
Exact Mass
140.058578
SMILES
COC(=O)CC1=NC=CN1
InChI
InChI=1S/C6H8N2O2/c1-10-6(9)4-5-7-2-3-8-5/h2-3H,4H2,1H3,(H,7,8)
InChIKey
SXDQVXFVMMLCCV-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
3
H-bond donors
1
Molar refractivity
34.31
TPSA
54.98

LogP / Solubility

WLOGP
0.13
MLOGP
0.1
XLogP3
-0.1
Consensus LogP
0.04
Log S (ESOL)
-1.03
Class (ESOL)
Soluble
Log S (Ali)
-0.8
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.91
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)
-3.49

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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