CAS RN: 1192-53-6
4,5-DICHLORO-1-METHYLIMIDAZOLE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250313 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1192-53-6
- Purity/Analytical Methods: >99.0%
1192-53-6 / 4,5-dichloro-1-methylimidazole
4,5-dichloro-1-methylimidazole | 4,5-Dichloro-1-methyl-1H-imidazole | 1H-Imidazole, 4,5-dichloro-1-methyl-
Basic Information
CAS
1192-53-6
Multi CAS
No
Molecular Formula
C4H4Cl2N2
Molecular Weight
150.990000
Exact Mass
149.975154
SMILES
CN1C=NC(=C1Cl)Cl
InChI
InChI=1S/C4H4Cl2N2/c1-8-2-7-3(5)4(8)6/h2H,1H3
InChIKey
VVYQLPWYFQBZOL-UHFFFAOYSA-N
Synonyms
4,5-dichloro-1-methylimidazole
4,5-Dichloro-1-methyl-1H-imidazole
1H-Imidazole, 4,5-dichloro-1-methyl-
MFCD00067911
SCHEMBL360581
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.25
H-bond acceptors
2
Molar refractivity
33.23
TPSA
17.82
LogP / Solubility
WLOGP
1.73
MLOGP
1.51
XLogP3
1.1
Consensus LogP
1.45
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.07
Class (SILICOS-IT)
Moderately 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)
-2.41
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)
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 (100%): 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
