![CAS 30489-47-5 IMidazo[1,2-a]pyridine-3-Methanol, 6-broMo- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/30489-47-5.gif)
CAS RN: 30489-47-5
IMidazo[1,2-a]pyridine-3-Methanol, 6-broMo-
Product Availability
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4 package records0 with current stock1 grade group
- Product code: starshine_CAS30489-47-5
- Purity/Analytical Methods: >99.0%
30489-47-5 / (6-bromoimidazo[1,2-a]pyridin-3-yl)methanol
Basic Information
CAS
30489-47-5
Multi CAS
No
Molecular Formula
BC8H7ORn2
Molecular Weight
227.060000
Exact Mass
225.974180
InChI
InChI=1S/C8H7BrN2O/c9-6-1-2-8-10-3-7(5-12)11(8)4-6/h1-4,12H,5H2
InChIKey
WJSGJIBYPNOLBH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.81
TPSA
37.53
LogP / Solubility
WLOGP
1.59
MLOGP
1.4
XLogP3
1.6
Consensus LogP
1.53
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.98
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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