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CAS 2021236-22-4 Ethyl 6-Chloroimidazo[1,5-a]pyridine-5-carboxylate molecular structure lightbox
CAS RN: 2021236-22-4

Ethyl 6-Chloroimidazo[1,5-a]pyridine-5-carboxylate

  • Product code: SSC-095240
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2021236-22-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 2 In Stock Shanghai Inquiry
0.25g ≥95% 2 In Stock Beijing Inquiry
1g ≥95% 1 In Stock Shanghai Inquiry
5g ≥95% 1 In Stock Beijing Inquiry

2021236-22-4 / ethyl 6-chloroimidazo[1,5-a]pyridine-5-carboxylate

Standard CAS: 2021236-22-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2021236-22-4
Multi CAS
No
Molecular Formula
C10H9ClN2O2
Molecular Weight
224.640000
Exact Mass
224.035255
SMILES
CCOC(=O)C1=C(C=CC2=CN=CN21)Cl
InChI
InChI=1S/C10H9ClN2O2/c1-2-15-10(14)9-8(11)4-3-7-5-12-6-13(7)9/h3-6H,2H2,1H3
InChIKey
RFOLYKBIRFWGQK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
56.16
TPSA
43.6

LogP / Solubility

WLOGP
2.16
MLOGP
1.91
XLogP3
3
Consensus LogP
2.36
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.16
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)
-2.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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