![CAS 118000-40-1 2-(CHLOROMETHYL)-6-METHYLIMIDAZO[1,2-A]PYRIDINE HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/118000-40-1.gif)
CAS RN: 118000-40-1
2-(CHLOROMETHYL)-6-METHYLIMIDAZO[1,2-A]PYRIDINE HYDROCHLORIDE
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251230 | 100mg / 250mg / 1g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS118000-40-1
- Purity/Analytical Methods: >99.0%
118000-40-1 / 2-(chloromethyl)-6-methylimidazo[1,2-a]pyridine;hydrochloride
2-(chloromethyl)-6-methylimidazo[1,2-a]pyridine | 2-(chloromethyl)-6-methyl-4-hydroimidazo[1,2-a]pyridine | SCHEMBL8174291
Basic Information
CAS
118000-40-1
Multi CAS
Yes
Molecular Formula
C9H10Cl2N2
Molecular Weight
217.090000
Exact Mass
216.022104
SMILES
CC1=CN2C=C(N=C2C=C1)CCl.Cl
InChI
InChI=1S/C9H9ClN2/c1-7-2-3-9-11-8(4-10)6-12(9)5-7/h2-3,5-6H,4H2,1H3
InChIKey
PLRNFKAZHXWINP-UHFFFAOYSA-N
Synonyms
2-(chloromethyl)-6-methylimidazo[1,2-a]pyridine
2-(chloromethyl)-6-methyl-4-hydroimidazo[1,2-a]pyridine
SCHEMBL8174291
2-CHLOROMETHYL-6-METHYL-IMIDAZO[1,2-A]PYRIDINE
PLRNFKAZHXWINP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
56.73
TPSA
17.3
LogP / Solubility
WLOGP
2.8
MLOGP
2.47
XLogP3
2.8
Consensus LogP
2.69
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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
P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, and P501
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