CAS RN: 1173119-94-2
(E)-Ethyl 3-(4-Bromo-3-Fluorophenyl)Acrylate
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.20250529 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-017177
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 |
1173119-94-2 / ethyl (E)-3-(4-bromo-3-fluorophenyl)prop-2-enoate
(E)-ethyl 3-(4-bromo-3-fluorophenyl)acrylate | MFCD22124741 | Ethyl (E)-3-(4-bromo-3-fluorophenyl)acrylate
Basic Information
CAS
1173119-94-2
Multi CAS
Yes
Molecular Formula
C11H10BrFO2
Molecular Weight
273.100000
Exact Mass
271.984820
SMILES
CCOC(=O)/C=C/C1=CC(=C(C=C1)Br)F
InChI
InChI=1S/C11H10BrFO2/c1-2-15-11(14)6-4-8-3-5-9(12)10(13)7-8/h3-7H,2H2,1H3/b6-4+
InChIKey
RVIHRBSFAPPZQK-GQCTYLIASA-N
Synonyms
(E)-ethyl 3-(4-bromo-3-fluorophenyl)acrylate
MFCD22124741
Ethyl (E)-3-(4-bromo-3-fluorophenyl)acrylate
C11H10BrFO2
ethyl (E)-3-(4-bromo-3-fluorophenyl)prop-2-enoate
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
59.77
TPSA
26.3
LogP / Solubility
WLOGP
3.16
MLOGP
2.79
XLogP3
3.4
Consensus LogP
3.12
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.42
Class (SILICOS-IT)
Slightly 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)
-2.14
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
1.5
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