![CAS 5778-86-9 11-AMINO-7,8,9,10-TETRAHYDRO-6H-CYCLOHEPTA[B]QUINOLINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/5778-86-9.gif)
CAS RN: 5778-86-9
11-AMINO-7,8,9,10-TETRAHYDRO-6H-CYCLOHEPTA[B]QUINOLINE
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2 package records0 with current stock1 grade group
- Product code: starshine_CAS5778-86-9
- Purity/Analytical Methods: >99.0%
5778-86-9 / 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
Basic Information
CAS
5778-86-9
Multi CAS
No
Molecular Formula
C14H16N2
Molecular Weight
212.290000
Exact Mass
212.131349
InChI
InChI=1S/C14H16N2/c15-14-10-6-2-1-3-8-12(10)16-13-9-5-4-7-11(13)14/h4-5,7,9H,1-3,6,8H2,(H2,15,16)
InChIKey
GOXLVSZAUDIXPN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.36
H-bond acceptors
2
H-bond donors
1
Molar refractivity
67.41
TPSA
38.91
LogP / Solubility
WLOGP
3.09
MLOGP
2.72
XLogP3
3.3
Consensus LogP
3.04
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.53
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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