![CAS 1427556-50-0 N-(9,9-dimethyl-9H-fluoren-2-yl)dibenzo[b,d]furan-3-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1427556-50-0.gif)
CAS RN: 1427556-50-0
N-(9,9-dimethyl-9H-fluoren-2-yl)dibenzo[b,d]furan-3-amine
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock1 grade group
- Product code: SSC-053982
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
1427556-50-0 / N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine
Basic Information
CAS
1427556-50-0
Multi CAS
No
Molecular Formula
C27H21NO
Molecular Weight
375.500000
Exact Mass
375.162314
SMILES
CC1(C2=CC=CC=C2C3=C1C=C(C=C3)NC4=CC5=C(C=C4)C6=CC=CC=C6O5)C
InChI
InChI=1S/C27H21NO/c1-27(2)23-9-5-3-7-19(23)20-13-11-17(15-24(20)27)28-18-12-14-22-21-8-4-6-10-25(21)29-26(22)16-18/h3-16,28H,1-2H3
InChIKey
ZXJHYBAHCRRCSV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
25
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
121.01
TPSA
25.17
LogP / Solubility
WLOGP
7.64
MLOGP
6.74
XLogP3
7.7
Consensus LogP
7.36
Log S (ESOL)
-7.48
Class (ESOL)
Insoluble
Log S (Ali)
-8.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.68
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)
0.41
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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