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CAS 1052552-08-5 2-(CHLOROMETHYL)-6-METHYLIMIDAZO[1,2-A]PYRIDINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 1052552-08-5

2-(CHLOROMETHYL)-6-METHYLIMIDAZO[1,2-A]PYRIDINE HYDROCHLORIDE

  • Product code: SSC-006983
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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 1052552-08-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1052552-08-5 / 2-(chloromethyl)-6-methylimidazo[1,2-a]pyridine;hydrochloride

2-(chloromethyl)-6-methylimidazo[1,2-a]pyridine hydrochloride | MFCD07313474 | 2-(chloromethyl)-6-methylimidazo[1,2-a]pyridine;hydrochloride

Standard CAS: 1052552-08-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1052552-08-5
Multi CAS
No
Molecular Formula
C9H10Cl2N2
Molecular Weight
217.090000
Exact Mass
216.022104
SMILES
CC1=CN2C=C(N=C2C=C1)CCl.Cl
InChI
InChI=1S/C9H9ClN2.ClH/c1-7-2-3-9-11-8(4-10)6-12(9)5-7;/h2-3,5-6H,4H2,1H3;1H
InChIKey
BNAOKMVYFOMSDX-UHFFFAOYSA-N
Synonyms
2-(chloromethyl)-6-methylimidazo[1,2-a]pyridine hydrochloride MFCD07313474 2-(chloromethyl)-6-methylimidazo[1,2-a]pyridine;hydrochloride 2-(chloromethyl)-6-methylimidazo[1,2-a]pyridine HCl 2-(Chloromethyl)-6-methylimidazo[1,2-a]pyridine, HCl

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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