![CAS 2407620-58-8 2′-bromospiro[adamantane-2,9′-fluorene] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB65441345.gif)
CAS RN: 2407620-58-8
2′-bromospiro[adamantane-2,9′-fluorene]
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260328 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20251105 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20260322 | 250mg / 1g / 5g / 25g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250311 | 25g | In stock | Shanghai | Inquiry | |
| Batchno.20250412 | 5g | In stock | Shanghai, Shenzhen | Inquiry |
- Product code: starshine_CAS2407620-58-8
- Purity/Analytical Methods: >99.0%
2407620-58-8 / 2'-bromospiro[adamantane-2,9'-fluorene]
Basic Information
CAS
2407620-58-8
Multi CAS
No
Molecular Formula
C22H21Br
Molecular Weight
365.300000
Exact Mass
364.082660
SMILES
C1C2CC3CC1CC(C2)C34C5=CC=CC=C5C6=C4C=C(C=C6)Br
InChI
InChI=1S/C22H21Br/c23-17-5-6-19-18-3-1-2-4-20(18)22(21(19)12-17)15-8-13-7-14(10-15)11-16(22)9-13/h1-6,12-16H,7-11H2
InChIKey
YKRJEIOSSKPUHX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.45
Molar refractivity
97.4
TPSA
0.0000
LogP / Solubility
WLOGP
6.17
MLOGP
5.45
XLogP3
7.1
Consensus LogP
6.24
Log S (ESOL)
-6.38
Class (ESOL)
Insoluble
Log S (Ali)
-7.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.16
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)
-0.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
9.5
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