![CAS 2033135-21-4 N-(9,9-dimethyl-9H-fluoren-3-yl)dibenzo[b,d]furan-3-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2033135-21-4.png)
CAS RN: 2033135-21-4
N-(9,9-dimethyl-9H-fluoren-3-yl)dibenzo[b,d]furan-3-amine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251215 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS2033135-21-4
- Purity/Analytical Methods: >99.0%
2033135-21-4 / N-(9,9-dimethylfluoren-3-yl)dibenzofuran-3-amine
Basic Information
CAS
2033135-21-4
Multi CAS
No
Molecular Formula
C27H21NO
Molecular Weight
375.500000
Exact Mass
375.162314
SMILES
CC1(C2=C(C=C(C=C2)NC3=CC4=C(C=C3)C5=CC=CC=C5O4)C6=CC=CC=C61)C
InChI
InChI=1S/C27H21NO/c1-27(2)23-9-5-3-7-19(23)22-15-17(12-14-24(22)27)28-18-11-13-21-20-8-4-6-10-25(20)29-26(21)16-18/h3-16,28H,1-2H3
InChIKey
QQRVWTYXDNBXEO-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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