CAS RN: 57103-14-7
“9H-Carbazole, 9-(4-fluorophenyl)-9-(4-Fluorophenyl)carbazole”
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5 package records5 with current stock1 grade group
- Product code: starshine_CAS57103-14-7
- Purity/Analytical Methods: >99.0%
57103-14-7 / 9-(4-fluorophenyl)carbazole
Basic Information
CAS
57103-14-7
Multi CAS
No
Molecular Formula
C18FH12N
Molecular Weight
261.300000
Exact Mass
261.095378
InChI
InChI=1S/C18H12FN/c19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-12H
InChIKey
VCYZFGQPKNTPFI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
19
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
80.74
TPSA
4.93
LogP / Solubility
WLOGP
4.92
MLOGP
4.34
XLogP3
5.1
Consensus LogP
4.79
Log S (ESOL)
-5.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.56
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)
-0.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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