CAS RN: 865-50-9
IODOMETHANE-D3
Product Availability
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4 package records3 with current stock1 grade group
- Product code: starshine_CAS865-50-9
- Purity/Analytical Methods: >99.0%
865-50-9 / trideuterio(iodo)methane
Basic Information
CAS
865-50-9
Multi CAS
Yes
Molecular Formula
CH3I
Molecular Weight
144.957000
Exact Mass
144.946780
InChI
InChI=1S/CH3I/c1-2/h1H3/i1D3
InChIKey
INQOMBQAUSQDDS-FIBGUPNXSA-N
Computed Properties
Structural Parameters
Heavy atom count
2
Fraction Csp3
1
Molar refractivity
19.94
TPSA
0.0000
LogP / Solubility
WLOGP
1.05
MLOGP
0.92
XLogP3
1.5
Consensus LogP
1.16
Log S (ESOL)
-1.38
Class (ESOL)
Soluble
Log S (Ali)
-1.48
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.46
Class (SILICOS-IT)
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)
-2.84
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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