CAS RN: 151509-02-3

Methyl iMidazo[1,5-a]pyridine-8-carboxylate

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Batchno.20260617 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS151509-02-3
  • Purity/Analytical Methods: >99.0%
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151509-02-3 / methyl imidazo[1,5-a]pyridine-8-carboxylate

Standard CAS: 151509-02-3 Multi CAS: No

Basic Information

CAS
151509-02-3
Multi CAS
No
Molecular Formula
C9H8N2O2
Molecular Weight
176.170000
Exact Mass
176.058578
SMILES
COC(=O)C1=CC=CN2C1=CN=C2
InChI
InChI=1S/C9H8N2O2/c1-13-9(12)7-3-2-4-11-6-10-5-8(7)11/h2-6H,1H3
InChIKey
AHAGTFJLGJGKNN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
46.53
TPSA
43.6

LogP / Solubility

WLOGP
1.12
MLOGP
0.98
XLogP3
1.7
Consensus LogP
1.27
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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