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CAS 474012-75-4 Benzenamine, 4-(6-iodoimidazo[1,2-a]pyridin-2-yl)-N,N-dimethyl- molecular structure lightbox
CAS RN: 474012-75-4

Benzenamine, 4-(6-iodoimidazo[1,2-a]pyridin-2-yl)-N,N-dimethyl-

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  • Product code: starshine_CAS474012-75-4
  • Purity/Analytical Methods: >99.0%
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474012-75-4 / 4-(6-iodoimidazo[1,2-a]pyridin-2-yl)-N,N-dimethylaniline

Standard CAS: 474012-75-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
474012-75-4
Multi CAS
No
Molecular Formula
C15H14In3
Molecular Weight
363.200000
Exact Mass
363.023250
InChI
InChI=1S/C15H14IN3/c1-18(2)13-6-3-11(4-7-13)14-10-19-9-12(16)5-8-15(19)17-14/h3-10H,1-2H3
InChIKey
GUJHUHNUHJMRII-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
15
Fraction Csp3
0.13
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
87.67
TPSA
20.54

LogP / Solubility

WLOGP
3.67
MLOGP
3.25
XLogP3
4.2
Consensus LogP
3.71
Log S (ESOL)
-4.86
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.31
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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