CAS RN: 594-38-7
2-IODO-2-METHYLBUTANE
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.20250315 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS594-38-7
- Purity/Analytical Methods: >99.0%
594-38-7 / 2-iodo-2-methylbutane
Basic Information
CAS
594-38-7
Multi CAS
No
Molecular Formula
C5H11I
Molecular Weight
198.050000
Exact Mass
197.990550
InChI
InChI=1S/C5H11I/c1-4-5(2,3)6/h4H2,1-3H3
InChIKey
NWRZTQFWFPLHHX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
1
Molar refractivity
38.39
TPSA
0.0000
LogP / Solubility
WLOGP
2.61
MLOGP
2.3
XLogP3
3.2
Consensus LogP
2.7
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
Class (SILICOS-IT)
Poorly 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)
-2.07
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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