CAS RN: 78787-78-7
1,7-dimethyl-9H-carbazole
Product Availability
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4 package records1 with current stock1 grade group
- Product code: starshine_CAS78787-78-7
- Purity/Analytical Methods: >99.0%
78787-78-7 / 1,7-dimethyl-9H-carbazole
Basic Information
CAS
78787-78-7
Multi CAS
No
Molecular Formula
C14H13N
Molecular Weight
195.260000
Exact Mass
195.104799
InChI
InChI=1S/C14H13N/c1-9-6-7-11-12-5-3-4-10(2)14(12)15-13(11)8-9/h3-8,15H,1-2H3
InChIKey
JDYXUXQFJAPJGX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
13
Fraction Csp3
0.14
H-bond donors
1
Molar refractivity
65.28
TPSA
15.79
LogP / Solubility
WLOGP
3.94
MLOGP
3.46
XLogP3
4.1
Consensus LogP
3.83
Log S (ESOL)
-4.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.2
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.12
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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