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CAS 83857-96-9 2-Butyl-5-chloro-1H-imidazole-4-carboxaldehyde molecular structure lightbox
CAS RN: 83857-96-9

2-Butyl-5-chloro-1H-imidazole-4-carboxaldehyde

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250319 100g In stock Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250205 10g In stock Shanghai Inquiry
Batchno.20250627 1kg In stock Shenzhen Inquiry
Batchno.20251107 25g In stock Shanghai Inquiry
Batchno.20250308 500g In stock Shenzhen Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260417 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-191543
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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: 10g, 25g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • 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 83857-96-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g >97% 5 In Stock Shenzhen Inquiry
25g >97% 5 In Stock Beijing Inquiry
100g >97% 0 Out of Stock Shanghai Inquiry

83857-96-9 / 2-butyl-5-chloro-1H-imidazole-4-carbaldehyde

Standard CAS: 83857-96-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
83857-96-9
Multi CAS
No
Molecular Formula
C8H11CLN2O
Molecular Weight
186.640000
Exact Mass
186.055991
InChI
InChI=1S/C8H11ClN2O/c1-2-3-4-7-10-6(5-12)8(9)11-7/h5H,2-4H2,1H3,(H,10,11)
InChIKey
JLVIHQCWASNXCK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.6
TPSA
45.75

LogP / Solubility

WLOGP
2.22
MLOGP
1.95
XLogP3
2.5
Consensus LogP
2.22
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.19
Class (SILICOS-IT)
Poorly 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)
-2.28

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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