[email protected]
CAS 144689-94-1 Diethyl 2-Propyl-1H-imidazole-4,5-dicarboxylate molecular structure lightbox
CAS RN: 144689-94-1

Diethyl 2-Propyl-1H-imidazole-4,5-dicarboxylate

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250315 100g In stock Inquiry
Batchno.20251205 25g In stock Inquiry
Batchno.20260627 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250127 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-055953
GET A QUOTE
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: 5g, 10g, 25g, 100g
  • Available purity: ≥98%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 144689-94-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 5 In Stock Beijing Inquiry
10g ≥98% 5 In Stock Shanghai Inquiry
25g ≥98% 5 In Stock Shanghai Inquiry
100g ≥98% 2 In Stock Hong Kong Inquiry

144689-94-1 / diethyl 2-propyl-1H-imidazole-4,5-dicarboxylate

Standard CAS: 144689-94-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
144689-94-1
Multi CAS
No
Molecular Formula
C12H18N2O4
Molecular Weight
254.280000
Exact Mass
254.126657
SMILES
CCCC1=NC(=C(N1)C(=O)OCC)C(=O)OCC
InChI
InChI=1S/C12H18N2O4/c1-4-7-8-13-9(11(15)17-5-2)10(14-8)12(16)18-6-3/h4-7H2,1-3H3,(H,13,14)
InChIKey
ZQPMIDPIXSMOAD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
5
Fraction Csp3
0.58
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
64.5
TPSA
81.28

LogP / Solubility

WLOGP
1.72
MLOGP
1.52
XLogP3
2.4
Consensus LogP
1.88
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.46
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
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)
-3.05

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us