![CAS 2377355-25-2 Spiro[2H-indene-2,4′-piperidine]-1′-carboxylic acid, 5-bromo-3-[[(R)-(1,1-dimethylethyl)sulfinyl]amino]-1,3-dihydro-, 1,1-dimethylethyl ester, (3S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2377355-25-2.gif)
CAS RN: 2377355-25-2
Spiro[2H-indene-2,4′-piperidine]-1′-carboxylic acid, 5-bromo-3-[[(R)-(1,1-dimethylethyl)sulfinyl]amino]-1,3-dihydro-, 1,1-dimethylethyl ester, (3S)-
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250921 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-115644
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
2377355-25-2 / tert-butyl (1S)-6-bromo-1-(tert-butylsulfinylamino)spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate
Basic Information
CAS
2377355-25-2
Multi CAS
No
Molecular Formula
C22H33BrN2O3S
Molecular Weight
485.500000
Exact Mass
484.139530
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC3=C([C@H]2NS(=O)C(C)(C)C)C=C(C=C3)Br
InChI
InChI=1S/C22H33BrN2O3S/c1-20(2,3)28-19(26)25-11-9-22(10-12-25)14-15-7-8-16(23)13-17(15)18(22)24-29(27)21(4,5)6/h7-8,13,18,24H,9-12,14H2,1-6H3/t18-,29?/m1/s1
InChIKey
GRSLYZJKSJMVJV-QHSQBYJISA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
6
Fraction Csp3
0.68
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
121.09
TPSA
58.64
LogP / Solubility
WLOGP
5.12
MLOGP
4.54
XLogP3
4.4
Consensus LogP
4.69
Log S (ESOL)
-6.09
Class (ESOL)
Insoluble
Log S (Ali)
-7.23
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.3
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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