CAS RN: 2123620-82-4
9,9-Dimethyl-3-phenyl-9H-fluoren-2-ylamine
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.20250710 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2123620-82-4
- Purity/Analytical Methods: >99.0%
2123620-82-4 / 9,9-dimethyl-3-phenylfluoren-2-amine
Basic Information
CAS
2123620-82-4
Multi CAS
No
Molecular Formula
C21H19N
Molecular Weight
285.400000
Exact Mass
285.151750
SMILES
CC1(C2=CC=CC=C2C3=C1C=C(C(=C3)C4=CC=CC=C4)N)C
InChI
InChI=1S/C21H19N/c1-21(2)18-11-7-6-10-15(18)17-12-16(20(22)13-19(17)21)14-8-4-3-5-9-14/h3-13H,22H2,1-2H3
InChIKey
FDJJICIGGBIIIY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
18
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
93.85
TPSA
26.02
LogP / Solubility
WLOGP
5.24
MLOGP
4.62
XLogP3
5.4
Consensus LogP
5.09
Log S (ESOL)
-5.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.99
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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