CAS RN: 1221237-85-9
Benzenamine,4-(9,9-dimethyl-9H-fluoren-2-yl)-
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.20250311 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1221237-85-9
- Purity/Analytical Methods: >99.0%
1221237-85-9 / 4-(9,9-dimethylfluoren-2-yl)aniline
Basic Information
CAS
1221237-85-9
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=C(C=C4)N)C
InChI
InChI=1S/C21H19N/c1-21(2)19-6-4-3-5-17(19)18-12-9-15(13-20(18)21)14-7-10-16(22)11-8-14/h3-13H,22H2,1-2H3
InChIKey
CNXDEKQQYVBIQH-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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