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CAS 500013-42-3 1-CBZ-4-(2-N-BOC-AMINO-ETHYL)-PIPERAZINE molecular structure lightbox
CAS RN: 500013-42-3

1-CBZ-4-(2-N-BOC-AMINO-ETHYL)-PIPERAZINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250304 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS500013-42-3
  • Purity/Analytical Methods: >99.0%
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500013-42-3 / benzyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperazine-1-carboxylate

Standard CAS: 500013-42-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
500013-42-3
Multi CAS
No
Molecular Formula
C19H29N3O4
Molecular Weight
363.500000
Exact Mass
363.215806
InChI
InChI=1S/C19H29N3O4/c1-19(2,3)26-17(23)20-9-10-21-11-13-22(14-12-21)18(24)25-15-16-7-5-4-6-8-16/h4-8H,9-15H2,1-3H3,(H,20,23)
InChIKey
CZPWUUGEWNJQKG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.58
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
98.88
TPSA
71.11

LogP / Solubility

WLOGP
2.47
MLOGP
2.19
XLogP3
2.1
Consensus LogP
2.25
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.67
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)
-3.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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