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CAS 683274-46-6 4-(2-AMINO-4-METHOXYCARBONYL-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER molecular structure lightbox
CAS RN: 683274-46-6

4-(2-AMINO-4-METHOXYCARBONYL-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251202 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS683274-46-6
  • Purity/Analytical Methods: >99.0%
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683274-46-6 / tert-butyl 4-(2-amino-4-methoxycarbonylphenyl)piperazine-1-carboxylate

Standard CAS: 683274-46-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
683274-46-6
Multi CAS
No
Molecular Formula
C17H25N3O4
Molecular Weight
335.400000
Exact Mass
335.184506
InChI
InChI=1S/C17H25N3O4/c1-17(2,3)24-16(22)20-9-7-19(8-10-20)14-6-5-12(11-13(14)18)15(21)23-4/h5-6,11H,7-10,18H2,1-4H3
InChIKey
WYWLNFNCMSRHEO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
92.21
TPSA
85.1

LogP / Solubility

WLOGP
2.11
MLOGP
1.88
XLogP3
1.9
Consensus LogP
1.96
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.84
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.83
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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