![CAS 828299-83-8 tert-butyl 4-[(3-chlorophenyl)carbonyl]piperazine-1-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/828299-83-8.gif)
CAS RN: 828299-83-8
tert-butyl 4-[(3-chlorophenyl)carbonyl]piperazine-1-carboxylate
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.20251102 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS828299-83-8
- Purity/Analytical Methods: >99.0%
828299-83-8 / tert-butyl 4-(3-chlorobenzoyl)piperazine-1-carboxylate
Basic Information
CAS
828299-83-8
Multi CAS
No
Molecular Formula
C16H21CLN2O3
Molecular Weight
324.800000
Exact Mass
324.124070
InChI
InChI=1S/C16H21ClN2O3/c1-16(2,3)22-15(21)19-9-7-18(8-10-19)14(20)12-5-4-6-13(17)11-12/h4-6,11H,7-10H2,1-3H3
InChIKey
OTECVUGXQFVDIN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
85.16
TPSA
49.85
LogP / Solubility
WLOGP
3.03
MLOGP
2.68
XLogP3
2.7
Consensus LogP
2.8
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.41
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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![CAS 828914-68-7 6,7-DIHYDRO-2-PHENYL-5H-PYRROLO[2,1-C]-1,2,4-TRIAZOLIUM CHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/828914-68-7.gif)