CAS RN: 20687-01-8
1-iodo-2-methyl-1-propene
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260221 | 50mg / 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS20687-01-8
- Purity/Analytical Methods: >99.0%
20687-01-8 / 1-iodo-2-methylprop-1-ene
Basic Information
CAS
20687-01-8
Multi CAS
No
Molecular Formula
C4H7I
Molecular Weight
182.000000
Exact Mass
181.959250
SMILES
CC(=CI)C
InChI
InChI=1S/C4H7I/c1-4(2)3-5/h3H,1-2H3
InChIKey
INLKHEAPNAVZAJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
5
Fraction Csp3
0.5
Molar refractivity
33.45
TPSA
0.0000
LogP / Solubility
WLOGP
2.35
MLOGP
2.06
XLogP3
2.6
Consensus LogP
2.34
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
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)
-2.17
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
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