CAS RN: 10111-08-7
Imidazole-2-carboxaldehyde
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
- Product code: SSC-001976
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, 25g, 10g, 100g, 500g
- Available purity: ＞96%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞96% | 3 In Stock | Shanghai | Inquiry |
| 5g | ＞96% | 2 In Stock | Beijing | Inquiry |
| 25g | ＞96% | 1 In Stock | Beijing | Inquiry |
| 10g | ＞96% | 0 Out of Stock | Beijing | Inquiry |
| 100g | ＞96% | 0 Out of Stock | Hong Kong | Inquiry |
| 500g | ＞96% | 0 Out of Stock | Beijing | Inquiry |
10111-08-7 / 1H-imidazole-2-carbaldehyde
1H-Imidazole-2-carbaldehyde | Imidazole-2-carboxaldehyde | RefChem:438391
Basic Information
CAS
10111-08-7
Multi CAS
Yes
Molecular Formula
C4H4N2O
Molecular Weight
96.090000
Exact Mass
96.032363
SMILES
C1=CN=C(N1)C=O
InChI
InChI=1S/C4H4N2O/c7-3-4-5-1-2-6-4/h1-3H,(H,5,6)
InChIKey
XYHKNCXZYYTLRG-UHFFFAOYSA-N
Synonyms
1H-Imidazole-2-carbaldehyde
Imidazole-2-carboxaldehyde
RefChem:438391
600-165-4
2-Formylimidazole
Computed Properties
Structural Parameters
Heavy atom count
7
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
23.98
TPSA
45.75
LogP / Solubility
WLOGP
0.22
MLOGP
0.18
XLogP3
-0.1
Consensus LogP
0.1
Log S (ESOL)
-1.04
Class (ESOL)
Soluble
Log S (Ali)
-0.51
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.59
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)
-3.15
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
