![CAS 118000-41-2 2-(CHLOROMETHYL)-7-METHYLIMIDAZO[1,2-A]PYRIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/118000-41-2.gif)
CAS RN: 118000-41-2
2-(CHLOROMETHYL)-7-METHYLIMIDAZO[1,2-A]PYRIDINE
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250320 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS118000-41-2
- Purity/Analytical Methods: >99.0%
118000-41-2 / 2-(chloromethyl)-7-methylimidazo[1,2-a]pyridine
2-(chloromethyl)-7-methylimidazo[1,2-a]pyridine | DTXSID20554873 | 2-(Chloromethyl)-7-methylimidazo(1,2-a)pyridine
Basic Information
CAS
118000-41-2
Multi CAS
No
Molecular Formula
C9H9ClN2
Molecular Weight
180.630000
Exact Mass
180.045426
SMILES
CC1=CC2=NC(=CN2C=C1)CCl
InChI
InChI=1S/C9H9ClN2/c1-7-2-3-12-6-8(5-10)11-9(12)4-7/h2-4,6H,5H2,1H3
InChIKey
AFFYGLUVFNCIKY-UHFFFAOYSA-N
Synonyms
2-(chloromethyl)-7-methylimidazo[1,2-a]pyridine
DTXSID20554873
2-(Chloromethyl)-7-methylimidazo(1,2-a)pyridine
RefChem:253561
DTXCID50505656
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
49.49
TPSA
17.3
LogP / Solubility
WLOGP
2.38
MLOGP
2.09
XLogP3
2.6
Consensus LogP
2.36
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.76
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.93
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.13
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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