![CAS 1190861-43-8 6-BROMO-2′,3′,5′,6′-TETRAHYDROSPIRO[INDOLINE-3,4′-PYRAN]-2-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1190861-43-8.gif)
CAS RN: 1190861-43-8
6-BROMO-2′,3′,5′,6′-TETRAHYDROSPIRO[INDOLINE-3,4′-PYRAN]-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.20260625 | 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-019532
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 | Beijing | Inquiry |
1190861-43-8 / 6-bromospiro[1H-indole-3,4'-oxane]-2-one
6-bromo-1,2-dihydrospiro[indole-3,4'-oxane]-2-one | 6-bromo-1,2-dihydrospiro(indole-3,4'-oxane)-2-one | RefChem:540520
Basic Information
CAS
1190861-43-8
Multi CAS
Yes
Molecular Formula
C12H12BrNO2
Molecular Weight
282.130000
Exact Mass
281.005140
SMILES
C1COCCC12C3=C(C=C(C=C3)Br)NC2=O
InChI
InChI=1S/C12H12BrNO2/c13-8-1-2-9-10(7-8)14-11(15)12(9)3-5-16-6-4-12/h1-2,7H,3-6H2,(H,14,15)
InChIKey
WGDOZEMHDIATQE-UHFFFAOYSA-N
Synonyms
6-bromo-1,2-dihydrospiro[indole-3,4'-oxane]-2-one
6-bromo-1,2-dihydrospiro(indole-3,4'-oxane)-2-one
RefChem:540520
843-581-3
6-Bromo-2',3',5',6'-tetrahydrospiro[indoline-3,4'-pyran]-2-one
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
H-bond acceptors
2
H-bond donors
1
Molar refractivity
64.5
TPSA
38.33
LogP / Solubility
WLOGP
2.45
MLOGP
2.17
XLogP3
1.7
Consensus LogP
2.11
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
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)
-2.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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![CAS 1190862-33-9 6-bromo-3,3-dimethyl-1H-pyrrolo[3,2-b]pyridin-2(3H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1190862-33-9.gif)
