CAS RN: 1616114-00-1
1616114-00-1
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.20251028 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-069221
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 | Beijing | Inquiry |
1616114-00-1 / 1-(2,7-dibromospiro[fluorene-9,4'-piperidine]-1'-yl)ethanone
Basic Information
CAS
1616114-00-1
Multi CAS
No
Molecular Formula
C19H17Br2NO
Molecular Weight
435.200000
Exact Mass
434.965640
SMILES
CC(=O)N1CCC2(CC1)C3=C(C=CC(=C3)Br)C4=C2C=C(C=C4)Br
InChI
InChI=1S/C19H17Br2NO/c1-12(23)22-8-6-19(7-9-22)17-10-13(20)2-4-15(17)16-5-3-14(21)11-18(16)19/h2-5,10-11H,6-9H2,1H3
InChIKey
KFQFRSRRRVCZKJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.32
H-bond acceptors
1
Molar refractivity
99.55
TPSA
20.31
LogP / Solubility
WLOGP
5.12
MLOGP
4.53
XLogP3
4.7
Consensus LogP
4.78
Log S (ESOL)
-6.15
Class (ESOL)
Insoluble
Log S (Ali)
-6.83
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.74
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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