![CAS 2259716-83-9 2-bromo-7-chlorosipro[fluorene-9,9′-xanthene] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2259716-83-9.gif)
CAS RN: 2259716-83-9
2-bromo-7-chlorosipro[fluorene-9,9′-xanthene]
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.20250726 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2259716-83-9
- Purity/Analytical Methods: >99.0%
2259716-83-9 / 2-bromo-7-chlorospiro[fluorene-9,9'-xanthene]
Basic Information
CAS
2259716-83-9
Multi CAS
No
Molecular Formula
C25H14BrClO
Molecular Weight
445.700000
Exact Mass
443.991660
SMILES
C1=CC=C2C(=C1)C3(C4=CC=CC=C4O2)C5=C(C=CC(=C5)Cl)C6=C3C=C(C=C6)Br
InChI
InChI=1S/C25H14BrClO/c26-15-9-11-17-18-12-10-16(27)14-22(18)25(21(17)13-15)19-5-1-3-7-23(19)28-24-8-4-2-6-20(24)25/h1-14H
InChIKey
GJXYWVDEZUCPDM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
24
Fraction Csp3
0.04
H-bond acceptors
1
Molar refractivity
116.53
TPSA
9.23
LogP / Solubility
WLOGP
7.57
MLOGP
6.69
XLogP3
7.6
Consensus LogP
7.29
Log S (ESOL)
-8.01
Class (ESOL)
Insoluble
Log S (Ali)
-8.68
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.84
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
Customers Also Viewed
-
2-Pyridinecarboxamide,N-methyl-5-(1-piperazinyl)-
- CAS RN: 2259835-10-2
- Product Code: SSC-110419
-
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[fluorene-9,9′-xanthene]-2-carbonitrile
- CAS RN: 2259843-44-0
- Product Code: SSC-110420
-
2,6-Piperidinedione, 3-[[4-(1-piperazinyl)phenyl]amino]-, hydrochloride (1:1)
- CAS RN: 2259851-45-9
- Product Code: SSC-110425
-
-
3′-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-[1,1′-biphenyl]-4-carbonitrile
- CAS RN: 2260561-71-3
- Product Code: SSC-110452
-
7-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-[1,2,4]TRIAZOLO[4,3-A]PYRIDINE
- CAS RN: 2260710-34-5
- Product Code: SSC-110466
![CAS 2259843-44-0 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[fluorene-9,9′-xanthene]-2-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2259843-44-0.gif)
![CAS 2259851-45-9 2,6-Piperidinedione, 3-[[4-(1-piperazinyl)phenyl]amino]-, hydrochloride (1:1) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2259851-45-9.gif)
![CAS 2260561-71-3 3′-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-[1,1′-biphenyl]-4-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2260561-71-3.gif)
![CAS 2260710-34-5 7-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-[1,2,4]TRIAZOLO[4,3-A]PYRIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB94007749.gif)