CAS RN: 929000-54-4
1-(4-Bromophenylsulfonyl)piperidin-4-one
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.20250528 | 1g / 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS929000-54-4
- Purity/Analytical Methods: >99.0%
929000-54-4 / 1-(4-bromophenyl)sulfonylpiperidin-4-one
Basic Information
CAS
929000-54-4
Multi CAS
No
Molecular Formula
BC11H12O3RnS
Molecular Weight
318.190000
Exact Mass
316.972130
InChI
InChI=1S/C11H12BrNO3S/c12-9-1-3-11(4-2-9)17(15,16)13-7-5-10(14)6-8-13/h1-4H,5-8H2
InChIKey
CVRKCAXMZOAGQZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
67.14
TPSA
54.45
LogP / Solubility
WLOGP
1.8
MLOGP
1.6
XLogP3
1.2
Consensus LogP
1.53
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.46
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.38
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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