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CAS 883554-88-9 tert-butyl 4-carbamoylpiperazine-1-carboxylate molecular structure lightbox
CAS RN: 883554-88-9

tert-butyl 4-carbamoylpiperazine-1-carboxylate

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250618 100mg In stock Shanghai, Chengdu Inquiry
Batchno.20250420 1g In stock Shanghai, Chengdu Inquiry
Batchno.20250827 250mg In stock Shanghai, Chengdu Inquiry
Batchno.20260102 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS883554-88-9
  • Purity/Analytical Methods: >99.0%
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883554-88-9 / tert-butyl 4-carbamoylpiperazine-1-carboxylate

Standard CAS: 883554-88-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
883554-88-9
Multi CAS
No
Molecular Formula
C10H19N3O3
Molecular Weight
229.280000
Exact Mass
229.142641
InChI
InChI=1S/C10H19N3O3/c1-10(2,3)16-9(15)13-6-4-12(5-7-13)8(11)14/h4-7H2,1-3H3,(H2,11,14)
InChIKey
BQAKNTNUYDSUSK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
58.96
TPSA
75.87

LogP / Solubility

WLOGP
0.62
MLOGP
0.55
XLogP3
-0.2
Consensus LogP
0.32
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.66
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)
-3.68

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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