CAS RN: 871333-96-9
4-IODO-1-METHYL-1H-IMIDAZOLE, HCL
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250130 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS871333-96-9
- Purity/Analytical Methods: >99.0%
871333-96-9 / 4-iodo-1-methylimidazole;hydrochloride
Basic Information
CAS
871333-96-9
Multi CAS
No
Molecular Formula
C5H6LiN2
Molecular Weight
244.460000
Exact Mass
243.926420
InChI
InChI=1S/C4H5IN2.ClH/c1-7-2-4(5)6-3-7;/h2-3H,1H3;1H
InChIKey
XGCYPLUTJZOYTB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.25
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.17
TPSA
17.82
LogP / Solubility
WLOGP
1.45
MLOGP
1.28
XLogP3
1.45
Consensus LogP
1.39
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
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)
-3.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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