CAS RN: 3761-94-2
2-METHYLCARBAZOLE
Product Availability
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2 package records1 with current stock1 grade group
- Product code: starshine_CAS3761-94-2
- Purity/Analytical Methods: >99.0%
3761-94-2 / 1-methylcycloheptan-1-ol
Basic Information
CAS
3761-94-2
Multi CAS
Yes
Molecular Formula
C8H16O
Molecular Weight
128.210000
Exact Mass
128.120115
InChI
InChI=1S/C8H16O/c1-8(9)6-4-2-3-5-7-8/h9H,2-7H2,1H3
InChIKey
XFFKAYOHINCUNU-UHFFFAOYSA-N
Physical Properties
Physical Description
Liquid.
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.33
TPSA
20.23
LogP / Solubility
WLOGP
2.09
MLOGP
1.83
XLogP3
1.9
Consensus LogP
1.94
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
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)
-2.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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