CAS RN: 1243144-97-9
methyl 2-(2-bromophenyl)-3-oxobutanoate
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.20250714 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-028209
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 |
1243144-97-9 / methyl 2-(2-bromophenyl)-3-oxobutanoate
Basic Information
CAS
1243144-97-9
Multi CAS
No
Molecular Formula
C11H11BrO3
Molecular Weight
271.110000
Exact Mass
269.989160
SMILES
CC(=O)C(C1=CC=CC=C1Br)C(=O)OC
InChI
InChI=1S/C11H11BrO3/c1-7(13)10(11(14)15-2)8-5-3-4-6-9(8)12/h3-6,10H,1-2H3
InChIKey
KWNLLHXMARGDDM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
59.58
TPSA
43.37
LogP / Solubility
WLOGP
2.29
MLOGP
2.03
XLogP3
2.4
Consensus LogP
2.24
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
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)
-2.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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