![CAS 1341038-90-1 5′-bromo-1′,2′-dihydrospiro[oxane-4,3′-pyrrolo[2,3-b]pyridine]-2′-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1341038-90-1.gif)
CAS RN: 1341038-90-1
5′-bromo-1′,2′-dihydrospiro[oxane-4,3′-pyrrolo[2,3-b]pyridine]-2′-one
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.20260322 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-041399
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 |
1341038-90-1 / 5-bromospiro[1H-pyrrolo[2,3-b]pyridine-3,4'-oxane]-2-one
Basic Information
CAS
1341038-90-1
Multi CAS
No
Molecular Formula
C11H11BrN2O2
Molecular Weight
283.120000
Exact Mass
282.000390
SMILES
C1COCCC12C3=C(NC2=O)N=CC(=C3)Br
InChI
InChI=1S/C11H11BrN2O2/c12-7-5-8-9(13-6-7)14-10(15)11(8)1-3-16-4-2-11/h5-6H,1-4H2,(H,13,14,15)
InChIKey
MFBOMGCPFZSTLQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.45
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.3
TPSA
51.22
LogP / Solubility
WLOGP
1.84
MLOGP
1.63
XLogP3
0.9
Consensus LogP
1.46
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.03
Class (SILICOS-IT)
Poorly 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)
-3.14
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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