CAS RN: 1644054-07-8
N-(9,9-dimethyl-9H-fluoren-4-yl)-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.20260117 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1644054-07-8
- Purity/Analytical Methods: >99.0%
1644054-07-8 / N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
Basic Information
CAS
1644054-07-8
Multi CAS
No
Molecular Formula
C30H27N
Molecular Weight
401.500000
Exact Mass
401.214350
SMILES
CC1(C2=C(C3=CC=CC=C31)C(=CC=C2)NC4=CC5=C(C=C4)C6=CC=CC=C6C5(C)C)C
InChI
InChI=1S/C30H27N/c1-29(2)24-13-8-6-11-22(24)28-25(29)14-9-15-27(28)31-19-16-17-21-20-10-5-7-12-23(20)30(3,4)26(21)18-19/h5-18,31H,1-4H3
InChIKey
IBJIZWGYHLPHTJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
24
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
131.29
TPSA
12.03
LogP / Solubility
WLOGP
8.04
MLOGP
7.1
XLogP3
8.5
Consensus LogP
7.88
Log S (ESOL)
-7.84
Class (ESOL)
Insoluble
Log S (Ali)
-8.66
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.19
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
Yes
Log Kp (skin permeation)
0.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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