![CAS 304876-16-2 Spiro[cyclopentane-1,3′-[3H]indol]-2′(1’H)-one,5′-bromo- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/304876-16-2(2).gif)
CAS RN: 304876-16-2
Spiro[cyclopentane-1,3′-[3H]indol]-2′(1’H)-one,5′-bromo-
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: SSC-135023
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
304876-16-2 / 5-bromospiro[1H-indole-3,1'-cyclopentane]-2-one
Basic Information
CAS
304876-16-2
Multi CAS
Yes
Molecular Formula
BC12H12ORn
Molecular Weight
266.130000
Exact Mass
265.010230
InChI
InChI=1S/C12H12BrNO/c13-8-3-4-10-9(7-8)12(11(15)14-10)5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H,14,15)
InChIKey
DSJAYULUMZHCII-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
H-bond acceptors
1
H-bond donors
1
Molar refractivity
62.92
TPSA
29.1
LogP / Solubility
WLOGP
3.21
MLOGP
2.84
XLogP3
2.9
Consensus LogP
2.98
Log S (ESOL)
-3.81
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.06
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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