![CAS 797056-47-4 2′-bromospiro[cyclopentane-1,9′-fluorene] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/797056-47-4.gif)
CAS RN: 797056-47-4
2′-bromospiro[cyclopentane-1,9′-fluorene]
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251217 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS797056-47-4
- Purity/Analytical Methods: >99.0%
797056-47-4 / 2'-bromospiro[cyclopentane-1,9'-fluorene]
Basic Information
CAS
797056-47-4
Multi CAS
No
Molecular Formula
C17H15BR
Molecular Weight
299.200000
Exact Mass
298.035710
InChI
InChI=1S/C17H15Br/c18-12-7-8-14-13-5-1-2-6-15(13)17(16(14)11-12)9-3-4-10-17/h1-2,5-8,11H,3-4,9-10H2
InChIKey
SDBGYZUAZCSSNI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.29
Molar refractivity
78.83
TPSA
0.0000
LogP / Solubility
WLOGP
5.29
MLOGP
4.67
XLogP3
6
Consensus LogP
5.32
Log S (ESOL)
-5.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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