![CAS 944418-46-6 N-[4-(tert-Butyl)phenyl]-9,9-dimethyl-9H-fluoren-2-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b6084-jpgcontextbwfzdgvyfhjvb3r8mzm4ntf8aw1hz2uvanblz3xoyzuvadixlzg5mjkynji2mzi5otavqjywodquanbnfdiwmgfhzdflmmjjmddinzc5mjuzntywnjm2zda4mwzkmwnmywuxymi0mgy0mdjiogq3oddimdnkzjliowqznte.jpeg)
CAS RN: 944418-46-6
N-[4-(tert-Butyl)phenyl]-9,9-dimethyl-9H-fluoren-2-amine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250721 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: ICTB6084
- Purity/Analytical Methods: >98.0%(HPLC)(N)
944418-46-6 / N-(4-tert-butylphenyl)-9,9-dimethylfluoren-2-amine
Basic Information
CAS
944418-46-6
Multi CAS
No
Molecular Formula
C25H27N
Molecular Weight
341.500000
Exact Mass
341.214350
InChI
InChI=1S/C25H27N/c1-24(2,3)17-10-12-18(13-11-17)26-19-14-15-21-20-8-6-7-9-22(20)25(4,5)23(21)16-19/h6-16,26H,1-5H3
InChIKey
NVCQMRCDIJQSAP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
18
Fraction Csp3
0.28
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
112.43
TPSA
12.03
LogP / Solubility
WLOGP
7.03
MLOGP
6.21
XLogP3
7.6
Consensus LogP
6.95
Log S (ESOL)
-6.77
Class (ESOL)
Insoluble
Log S (Ali)
-7.44
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.96
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
0.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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