CAS RN: 1261778-92-0
Ethyl 3-(4-Bromo-3-Fluorophenyl)Propanoate
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.20260509 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1261778-92-0
- Purity/Analytical Methods: >99.0%
1261778-92-0 / ethyl 3-(4-bromo-3-fluorophenyl)propanoate
Basic Information
CAS
1261778-92-0
Multi CAS
No
Molecular Formula
C11H12BrFO2
Molecular Weight
275.110000
Exact Mass
274.000470
SMILES
CCOC(=O)CCC1=CC(=C(C=C1)Br)F
InChI
InChI=1S/C11H12BrFO2/c1-2-15-11(14)6-4-8-3-5-9(12)10(13)7-8/h3,5,7H,2,4,6H2,1H3
InChIKey
ORQMPFCLEVUROV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
59.05
TPSA
26.3
LogP / Solubility
WLOGP
3.08
MLOGP
2.72
XLogP3
3.2
Consensus LogP
3
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.49
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)
-2.21
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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