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CAS 113825-16-4 4-Methyl-1H-imidazole-2-carbaldehyde molecular structure lightbox
CAS RN: 113825-16-4

4-Methyl-1H-imidazole-2-carbaldehyde

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250725 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-013815
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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: ≥95%
  • 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 113825-16-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

113825-16-4 / 5-methyl-1H-imidazole-2-carbaldehyde

4-METHYL-1H-IMIDAZOLE-2-CARBOXALDEHYDE | RefChem:524972 | 685-745-5

Standard CAS: 113825-16-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
113825-16-4
Multi CAS
Yes
Molecular Formula
C5H6N2O
Molecular Weight
110.110000
Exact Mass
110.048013
SMILES
CC1=CN=C(N1)C=O
InChI
InChI=1S/C5H6N2O/c1-4-2-6-5(3-8)7-4/h2-3H,1H3,(H,6,7)
InChIKey
AEYQOYLTLFOCHR-UHFFFAOYSA-N
Synonyms
4-METHYL-1H-IMIDAZOLE-2-CARBOXALDEHYDE RefChem:524972 685-745-5 4-methyl-1H-imidazole-2-carbaldehyde 5-Methyl-1H-imidazole-2-carbaldehyde

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
28.71
TPSA
45.75

LogP / Solubility

WLOGP
0.53
MLOGP
0.46
XLogP3
0.3
Consensus LogP
0.43
Log S (ESOL)
-1.25
Class (ESOL)
Soluble
Log S (Ali)
-0.85
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.94
Class (SILICOS-IT)
Very 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)
-3.01

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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