CAS RN: 2119589-66-9
2119589-66-9
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.20260517 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2119589-66-9
- Purity/Analytical Methods: >99.0%
2119589-66-9 / 3,6-dibromo-9-(3,6-dibromofluoren-9-ylidene)fluorene
Basic Information
CAS
2119589-66-9
Multi CAS
No
Molecular Formula
C26H12Br4
Molecular Weight
644.000000
Exact Mass
643.763150
SMILES
C1=CC2=C(C=C1Br)C3=C(C2=C4C5=C(C=C(C=C5)Br)C6=C4C=CC(=C6)Br)C=CC(=C3)Br
InChI
InChI=1S/C26H12Br4/c27-13-1-5-17-21(9-13)22-10-14(28)2-6-18(22)25(17)26-19-7-3-15(29)11-23(19)24-12-16(30)4-8-20(24)26/h1-12H
InChIKey
HFNZBYBNUKUSFH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
24
Molar refractivity
139.57
TPSA
0.0000
LogP / Solubility
WLOGP
9.7
MLOGP
8.59
XLogP3
8.9
Consensus LogP
9.06
Log S (ESOL)
-10.54
Class (ESOL)
Insoluble
Log S (Ali)
-11.85
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.9
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.24
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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