![CAS 1575836-59-7 Spiro[azetidine-3,7′(5’H)-furo[3,4-b]pyridine]-1-carboxylic acid, 3′-bromo-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1575836-59-7.gif)
CAS RN: 1575836-59-7
Spiro[azetidine-3,7′(5’H)-furo[3,4-b]pyridine]-1-carboxylic acid, 3′-bromo-, 1,1-dimethylethyl ester
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.20251207 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-066459
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1575836-59-7 / tert-butyl 3-bromospiro[5H-furo[3,4-b]pyridine-7,3'-azetidine]-1'-carboxylate
Basic Information
CAS
1575836-59-7
Multi CAS
No
Molecular Formula
C14H17BrN2O3
Molecular Weight
341.200000
Exact Mass
340.042250
SMILES
CC(C)(C)OC(=O)N1CC2(C1)C3=C(CO2)C=C(C=N3)Br
InChI
InChI=1S/C14H17BrN2O3/c1-13(2,3)20-12(18)17-7-14(8-17)11-9(6-19-14)4-10(15)5-16-11/h4-5H,6-8H2,1-3H3
InChIKey
NRDIATHVZKNMSB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
76.21
TPSA
51.66
LogP / Solubility
WLOGP
2.82
MLOGP
2.5
XLogP3
1.3
Consensus LogP
2.21
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.22
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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