CAS RN: 1312412-87-5
3-BroMo-2,4-dioxo-piperidine-1-carboxylic acid tert-butyl ester
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.20250107 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1312412-87-5
- Purity/Analytical Methods: >99.0%
1312412-87-5 / tert-butyl 3-bromo-2,4-dioxopiperidine-1-carboxylate
Basic Information
CAS
1312412-87-5
Multi CAS
No
Molecular Formula
C10H14BrNO4
Molecular Weight
292.130000
Exact Mass
291.010620
SMILES
CC(C)(C)OC(=O)N1CCC(=O)C(C1=O)Br
InChI
InChI=1S/C10H14BrNO4/c1-10(2,3)16-9(15)12-5-4-6(13)7(11)8(12)14/h7H,4-5H2,1-3H3
InChIKey
ZWMOSQYRIUMWSQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.7
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
60.29
TPSA
63.68
LogP / Solubility
WLOGP
1.49
MLOGP
1.32
XLogP3
1.4
Consensus LogP
1.4
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.79
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.45
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
2
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