CAS RN: 1951439-41-0
METHYL 7-BROMO-3-OXO-2,3-DIHYDRO-1H-INDENE-5-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.20250715 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-092035
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 | Shenzhen | Inquiry |
1951439-41-0 / methyl 7-bromo-3-oxo-1,2-dihydroindene-5-carboxylate
Basic Information
CAS
1951439-41-0
Multi CAS
No
Molecular Formula
C11H9BrO3
Molecular Weight
269.090000
Exact Mass
267.973510
SMILES
COC(=O)C1=CC2=C(CCC2=O)C(=C1)Br
InChI
InChI=1S/C11H9BrO3/c1-15-11(14)6-4-8-7(9(12)5-6)2-3-10(8)13/h4-5H,2-3H2,1H3
InChIKey
GWBQZUMYXFKCBS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
58.13
TPSA
43.37
LogP / Solubility
WLOGP
2.36
MLOGP
2.09
XLogP3
2.2
Consensus LogP
2.22
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
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)
-2.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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