![CAS 1445951-09-6 Tert-Butyl 5-Bromo-2′,3′,5′,6′-Tetrahydrospiro[Indoline-3,4′-Pyran]-1-Carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1445951-09-6.gif)
CAS RN: 1445951-09-6
Tert-Butyl 5-Bromo-2′,3′,5′,6′-Tetrahydrospiro[Indoline-3,4′-Pyran]-1-Carboxylate
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.20260218 | 50mg / 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-055775
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 |
1445951-09-6 / tert-butyl 5-bromospiro[2H-indole-3,4'-oxane]-1-carboxylate
Basic Information
CAS
1445951-09-6
Multi CAS
No
Molecular Formula
C17H22BrNO3
Molecular Weight
368.300000
Exact Mass
367.078310
SMILES
CC(C)(C)OC(=O)N1CC2(CCOCC2)C3=C1C=CC(=C3)Br
InChI
InChI=1S/C17H22BrNO3/c1-16(2,3)22-15(20)19-11-17(6-8-21-9-7-17)13-10-12(18)4-5-14(13)19/h4-5,10H,6-9,11H2,1-3H3
InChIKey
LKYRVUIMASOGGH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
89.45
TPSA
38.77
LogP / Solubility
WLOGP
4.25
MLOGP
3.76
XLogP3
3.5
Consensus LogP
3.84
Log S (ESOL)
-5
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.58
Class (SILICOS-IT)
Slightly soluble
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)
-1.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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