CAS RN: 3884-71-7
5-BROMO-PENTAN-2-ONE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250616 | 100mg / 250mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai, Shandong, Guangdong | 5-7 business days | Inquiry |
- Product code: starshine_CAS3884-71-7
- Purity/Analytical Methods: >99.0%
3884-71-7 / 5-bromopentan-2-one
Basic Information
CAS
3884-71-7
Multi CAS
Yes
Molecular Formula
C5H9BRO
Molecular Weight
165.030000
Exact Mass
163.983680
InChI
InChI=1S/C5H9BrO/c1-5(7)3-2-4-6/h2-4H2,1H3
InChIKey
HTKABMPGOHRVCT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
33.71
TPSA
17.07
LogP / Solubility
WLOGP
1.75
MLOGP
1.54
XLogP3
1
Consensus LogP
1.43
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
Class (SILICOS-IT)
Moderately 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)
-2.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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