CAS RN: 114744-53-5
1-(6-Bromoindolin-1-yl)ethanone
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.20250525 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-014470
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 | Shanghai | Inquiry |
114744-53-5 / 1-(6-bromo-2,3-dihydroindol-1-yl)ethanone
1-(6-Bromoindolin-1-yl)ethanone | Ethanone, 1-(6-bromo-2,3-dihydro-1H-indol-1-yl)- | MFCD15523552
Basic Information
CAS
114744-53-5
Multi CAS
No
Molecular Formula
C10H10BrNO
Molecular Weight
240.100000
Exact Mass
238.994580
SMILES
CC(=O)N1CCC2=C1C=C(C=C2)Br
InChI
InChI=1S/C10H10BrNO/c1-7(13)12-5-4-8-2-3-9(11)6-10(8)12/h2-3,6H,4-5H2,1H3
InChIKey
BDKDQGYCFLQERH-UHFFFAOYSA-N
Synonyms
1-(6-Bromoindolin-1-yl)ethanone
Ethanone, 1-(6-bromo-2,3-dihydro-1H-indol-1-yl)-
MFCD15523552
1-(6-BROMO-2,3-DIHYDROINDOL-1-YL)ETHANONE
1-(6-Bromoindolin-1-yl)ethan-1-one
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
1
Molar refractivity
55.87
TPSA
20.31
LogP / Solubility
WLOGP
2.36
MLOGP
2.08
XLogP3
2
Consensus LogP
2.15
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.18
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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