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CAS 525587-00-2 (2-OXO-2-PIPERAZIN-1-YL-ETHYL)-CARBAMIC ACID TERT-BUTYL ESTER molecular structure lightbox
CAS RN: 525587-00-2

(2-OXO-2-PIPERAZIN-1-YL-ETHYL)-CARBAMIC ACID TERT-BUTYL ESTER

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250518 1g Out of stock 1 business days Inquiry
  • Product code: starshine_CAS525587-00-2
  • Purity/Analytical Methods: >99.0%
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525587-00-2 / tert-butyl N-(2-oxo-2-piperazin-1-ylethyl)carbamate

Standard CAS: 525587-00-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
525587-00-2
Multi CAS
Yes
Molecular Formula
C11H21N3O3
Molecular Weight
243.300000
Exact Mass
243.158292
InChI
InChI=1S/C11H21N3O3/c1-11(2,3)17-10(16)13-8-9(15)14-6-4-12-5-7-14/h12H,4-8H2,1-3H3,(H,13,16)
InChIKey
PVPLWNKSNCRQIL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.82
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
63.69
TPSA
70.67

LogP / Solubility

WLOGP
-0.06
MLOGP
-0.05
XLogP3
-0.2
Consensus LogP
-0.1
Log S (ESOL)
-1.18
Class (ESOL)
Soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.43
Class (SILICOS-IT)
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)
-4.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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