CAS RN: 761426-65-7
2-Cyclopropyl-4-iodo-1H-iMidazole
Product Availability
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4 package records4 with current stock1 grade group
- Product code: starshine_CAS761426-65-7
- Purity/Analytical Methods: >99.0%
761426-65-7 / 2-cyclopropyl-5-iodo-1H-imidazole
Basic Information
CAS
761426-65-7
Multi CAS
No
Molecular Formula
C6H7In2
Molecular Weight
234.040000
Exact Mass
233.965400
InChI
InChI=1S/C6H7IN2/c7-5-3-8-6(9-5)4-1-2-4/h3-4H,1-2H2,(H,8,9)
InChIKey
BUGIVUAOFKVFNR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43.28
TPSA
28.68
LogP / Solubility
WLOGP
1.89
MLOGP
1.67
XLogP3
1.3
Consensus LogP
1.62
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
Class (SILICOS-IT)
Moderately 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)
-2.8
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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