CAS RN: 38396-89-3
2-BROMO-3′-ACETYLOXYLACETOPHENONE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251128 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS38396-89-3
- Purity/Analytical Methods: >99.0%
38396-89-3 / [3-(2-bromoacetyl)phenyl] acetate
Basic Information
CAS
38396-89-3
Multi CAS
No
Molecular Formula
C10H9BRO3
Molecular Weight
257.080000
Exact Mass
255.973510
InChI
InChI=1S/C10H9BrO3/c1-7(12)14-9-4-2-3-8(5-9)10(13)6-11/h2-5H,6H2,1H3
InChIKey
YLJZSPJKMBFLRA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
55.88
TPSA
43.37
LogP / Solubility
WLOGP
2.19
MLOGP
1.93
XLogP3
2
Consensus LogP
2.04
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
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)
-2.73
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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