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CAS 2302-39-8 4,5-DIMETHYL-1H-IMIDAZOLE molecular structure lightbox
CAS RN: 2302-39-8

4,5-DIMETHYL-1H-IMIDAZOLE

  • Product code: SSC-111798
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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: 1g, 5g, 10g, 0.1g, 0.25g, 25g, 100g
  • Available purity: ≥97%
  • Inventory rows with stock: 7
  • 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 2302-39-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 5 In Stock Shanghai Inquiry
5g ≥97% 5 In Stock Beijing Inquiry
10g ≥97% 5 In Stock Shenzhen Inquiry
0.1g ≥97% 3 In Stock Hong Kong Inquiry
0.25g ≥97% 3 In Stock Hong Kong Inquiry
25g ≥97% 3 In Stock Shenzhen Inquiry
100g ≥97% 3 In Stock Beijing Inquiry

2302-39-8 / 4,5-dimethyl-1H-imidazole

Standard CAS: 2302-39-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2302-39-8
Multi CAS
No
Molecular Formula
C5H8N2
Molecular Weight
96.130000
Exact Mass
96.068748
SMILES
CC1=C(N=CN1)C
InChI
InChI=1S/C5H8N2/c1-4-5(2)7-3-6-4/h3H,1-2H3,(H,6,7)
InChIKey
YSWBFLWKAIRHEI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Aromatic heavy atom count
5
Fraction Csp3
0.4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
28.06
TPSA
28.68

LogP / Solubility

WLOGP
1.03
MLOGP
0.89
XLogP3
0.9
Consensus LogP
0.94
Log S (ESOL)
-1.61
Class (ESOL)
Soluble
Log S (Ali)
-1.09
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.14
Class (SILICOS-IT)
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)
-2.58

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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