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CAS 1363380-47-5 6-Bromo-imidazo[1,5-a]pyridine-1-carboxylic acid ethyl ester molecular structure lightbox
CAS RN: 1363380-47-5

6-Bromo-imidazo[1,5-a]pyridine-1-carboxylic acid ethyl ester

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250306 50mg / 100mg / 250mg / 500mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1363380-47-5
  • Purity/Analytical Methods: >99.0%
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1363380-47-5 / ethyl 6-bromoimidazo[1,5-a]pyridine-1-carboxylate

Standard CAS: 1363380-47-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1363380-47-5
Multi CAS
No
Molecular Formula
C10H9BrN2O2
Molecular Weight
269.090000
Exact Mass
267.984740
SMILES
CCOC(=O)C1=C2C=CC(=CN2C=N1)Br
InChI
InChI=1S/C10H9BrN2O2/c1-2-15-10(14)9-8-4-3-7(11)5-13(8)6-12-9/h3-6H,2H2,1H3
InChIKey
LNBYGNZNXHXJIM-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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