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CAS 1823040-49-8 Ethyl 6-Bromoimidazo[1,5-a]pyridine-3-carboxylate molecular structure lightbox
CAS RN: 1823040-49-8

Ethyl 6-Bromoimidazo[1,5-a]pyridine-3-carboxylate

  • Product code: SSC-083450
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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
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • 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 1823040-49-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Beijing Inquiry
0.25g ≥95% 5 In Stock Beijing Inquiry
1g ≥95% 5 In Stock Shanghai Inquiry

1823040-49-8 / ethyl 6-bromoimidazo[1,5-a]pyridine-3-carboxylate

Standard CAS: 1823040-49-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1823040-49-8
Multi CAS
No
Molecular Formula
C10H9BrN2O2
Molecular Weight
269.090000
Exact Mass
267.984740
SMILES
CCOC(=O)C1=NC=C2N1C=C(C=C2)Br
InChI
InChI=1S/C10H9BrN2O2/c1-2-15-10(14)9-12-5-8-4-3-7(11)6-13(8)9/h3-6H,2H2,1H3
InChIKey
IGRIXOIBIPPFBM-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
58.85
TPSA
43.6

LogP / Solubility

WLOGP
2.27
MLOGP
2.01
XLogP3
3.1
Consensus LogP
2.46
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
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)
-2.75

Drug-likeness / Medicinal Chemistry

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

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