CAS RN: 917-54-4
Methyllithium (ca. 3-5% in Ethyl Ether, ca. 1-2mol/L)
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock1 grade group
- Product code: ICTM1655
917-54-4 / lithium carbanide
Basic Information
CAS
917-54-4
Multi CAS
Yes
Molecular Formula
CH3Li
Molecular Weight
22.000000
Exact Mass
22.039479
InChI
InChI=1S/CH3.Li/h1H3;/q-1;+1
InChIKey
IHLVCKWPAMTVTG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
2
H-bond acceptors
1
Molar refractivity
6.41
TPSA
0.0000
LogP / Solubility
WLOGP
-2.55
MLOGP
-2.26
XLogP3
-2.55
Consensus LogP
-2.45
Log S (ESOL)
1.63
Class (ESOL)
Highly soluble
Log S (Ali)
2.1
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.31
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.66
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
