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CAS 83902-00-5 2-Ethyl-4-formylimidazole molecular structure lightbox
CAS RN: 83902-00-5

2-Ethyl-4-formylimidazole

Product Availability

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3 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251112 100mg Out of stock Inquiry
Batchno.20250729 1g Out of stock Inquiry
Batchno.20250305 250mg In stock Shanghai Inquiry
  • Product code: SSC-191569
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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: ＞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 83902-00-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shanghai Inquiry

83902-00-5 / 2-ethyl-1H-imidazole-5-carbaldehyde

Standard CAS: 83902-00-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
83902-00-5
Multi CAS
No
Molecular Formula
C6H8N2O
Molecular Weight
124.140000
Exact Mass
124.063663
InChI
InChI=1S/C6H8N2O/c1-2-6-7-3-5(4-9)8-6/h3-4H,2H2,1H3,(H,7,8)
InChIKey
QXWHYVOBYWYFHA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
33.35
TPSA
45.75

LogP / Solubility

WLOGP
0.78
MLOGP
0.68
XLogP3
0.7
Consensus LogP
0.72
Log S (ESOL)
-1.38
Class (ESOL)
Soluble
Log S (Ali)
-1.14
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.36
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)
-2.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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