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CAS 1021949-47-2 5-[1-(2,3-DiMethylphenyl)ethenyl]iMidazole molecular structure lightbox
CAS RN: 1021949-47-2

5-[1-(2,3-DiMethylphenyl)ethenyl]iMidazole

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250326 100mg In stock Inquiry
Batchno.20260103 250mg In stock Inquiry
Batchno.20250425 25mg In stock Inquiry
  • Product code: SSC-003472
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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: 1g
  • Available purity: ＞97%
  • 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 1021949-47-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1021949-47-2 / 5-[1-(2,3-dimethylphenyl)ethenyl]-1H-imidazole

5-(1-(2,3-Dimethylphenyl)vinyl)-1H-imidazole | 5-[1-(2,3-dimethylphenyl)vinyl]-1h-imidazole | RefChem:528943

Standard CAS: 1021949-47-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1021949-47-2
Multi CAS
Yes
Molecular Formula
C13H14N2
Molecular Weight
198.260000
Exact Mass
198.115698
SMILES
CC1=C(C(=CC=C1)C(=C)C2=CN=CN2)C
InChI
InChI=1S/C13H14N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8H,3H2,1-2H3,(H,14,15)
InChIKey
YJOFSWIMUJKAGV-UHFFFAOYSA-N
Synonyms
5-(1-(2,3-Dimethylphenyl)vinyl)-1H-imidazole 5-[1-(2,3-dimethylphenyl)vinyl]-1h-imidazole RefChem:528943 694-900-6 5-[1-(2,3-Dimethylphenyl)ethenyl]-1H-imidazole

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.15
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
62.64
TPSA
28.68

LogP / Solubility

WLOGP
3.09
MLOGP
2.72
XLogP3
3.5
Consensus LogP
3.1
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.42
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.75
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.74

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Acute Toxic Health Hazard
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity] H362 (100%): May cause harm to breast-fed children [Reproductive toxicity, effects on or via lactation]
Precautionary Statement Codes
P203, P260, P263, P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P318, P321, P330, P337+P317, P405, and P501

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