![CAS 951884-04-1 2′,7′-Dibromospiro[cyclopent[3]ene-1,9′-fluorene] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/951884-04-1.gif)
CAS RN: 951884-04-1
2′,7′-Dibromospiro[cyclopent[3]ene-1,9′-fluorene]
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.20260604 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS951884-04-1
- Purity/Analytical Methods: >99.0%
951884-04-1 / 2',7'-dibromospiro[cyclopentene-4,9'-fluorene]
Basic Information
CAS
951884-04-1
Multi CAS
Yes
Molecular Formula
C17H12BR2
Molecular Weight
376.100000
Exact Mass
375.928530
InChI
InChI=1S/C17H12Br2/c18-11-3-5-13-14-6-4-12(19)10-16(14)17(15(13)9-11)7-1-2-8-17/h1-6,9-10H,7-8H2
InChIKey
QPQANYVXSVAJFZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.18
Molar refractivity
86.43
TPSA
0.0000
LogP / Solubility
WLOGP
5.83
MLOGP
5.15
XLogP3
5.9
Consensus LogP
5.63
Log S (ESOL)
-6.31
Class (ESOL)
Insoluble
Log S (Ali)
-6.85
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.94
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)
-0.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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