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CAS 112230-23-6 Imidazo[1,5-a]pyridin-1-yl-methanol molecular structure lightbox
CAS RN: 112230-23-6

Imidazo[1,5-a]pyridin-1-yl-methanol

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Batchno.20250424 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS112230-23-6
  • Purity/Analytical Methods: >99.0%
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112230-23-6 / imidazo[1,5-a]pyridin-1-ylmethanol

Imidazo[1,5-a]pyridin-1-ylmethanol | Imidazo(1,5-a)pyridin-1-ylmethanol | RefChem:790672

Standard CAS: 112230-23-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
112230-23-6
Multi CAS
No
Molecular Formula
C8H8N2O
Molecular Weight
148.160000
Exact Mass
148.063663
SMILES
C1=CC2=C(N=CN2C=C1)CO
InChI
InChI=1S/C8H8N2O/c11-5-7-8-3-1-2-4-10(8)6-9-7/h1-4,6,11H,5H2
InChIKey
UBSCRHULDXXNCV-UHFFFAOYSA-N
Synonyms
Imidazo[1,5-a]pyridin-1-ylmethanol Imidazo(1,5-a)pyridin-1-ylmethanol RefChem:790672 886-532-1 imidazo[1,5-a]pyridin-1-yl-methanol

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.11
TPSA
37.53

LogP / Solubility

WLOGP
0.83
MLOGP
0.72
XLogP3
1
Consensus LogP
0.85
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-1.37
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.43
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)
-3.04

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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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