CAS RN: 78787-83-4
1,5,8-TriMethylcarbazole
Product Availability
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2 package records1 with current stock1 grade group
- Product code: LINT888654
78787-83-4 / 1,4,8-trimethyl-9H-carbazole
Basic Information
CAS
78787-83-4
Multi CAS
No
Molecular Formula
C15H15N
Molecular Weight
209.290000
Exact Mass
209.120449
InChI
InChI=1S/C15H15N/c1-9-7-8-11(3)15-13(9)12-6-4-5-10(2)14(12)16-15/h4-8,16H,1-3H3
InChIKey
DKMJSUBUAMUZAJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
13
Fraction Csp3
0.2
H-bond donors
1
Molar refractivity
70.02
TPSA
15.79
LogP / Solubility
WLOGP
4.25
MLOGP
3.74
XLogP3
4.5
Consensus LogP
4.16
Log S (ESOL)
-4.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.54
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.98
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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