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CAS 1780051-70-8 6-chloro-2,3-dimethyl-3H-imidazo[4,5-c]pyridine molecular structure lightbox
CAS RN: 1780051-70-8

6-chloro-2,3-dimethyl-3H-imidazo[4,5-c]pyridine

  • Product code: SSC-077966
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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: 0.25g
  • 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 1780051-70-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1780051-70-8 / 6-chloro-2,3-dimethylimidazo[4,5-c]pyridine

Standard CAS: 1780051-70-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1780051-70-8
Multi CAS
No
Molecular Formula
C8H8ClN3
Molecular Weight
181.620000
Exact Mass
181.040675
SMILES
CC1=NC2=CC(=NC=C2N1C)Cl
InChI
InChI=1S/C8H8ClN3/c1-5-11-6-3-8(9)10-4-7(6)12(5)2/h3-4H,1-2H3
InChIKey
UKJLRQZBQACCBG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.25
H-bond acceptors
3
Molar refractivity
48.26
TPSA
30.71

LogP / Solubility

WLOGP
1.93
MLOGP
1.7
XLogP3
1.7
Consensus LogP
1.78
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.44
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)
-2.46

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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