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CAS 219312-90-0 4-FMOC-PIPERAZINE-2-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 219312-90-0

4-FMOC-PIPERAZINE-2-CARBOXYLIC ACID

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250701 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS219312-90-0
  • Purity/Analytical Methods: >99.0%
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219312-90-0 / 4-(9H-fluoren-9-ylmethoxycarbonyl)piperazine-2-carboxylic acid

Standard CAS: 219312-90-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
219312-90-0
Multi CAS
No
Molecular Formula
C20H20N2O4
Molecular Weight
352.400000
Exact Mass
352.142307
SMILES
C1CN(CC(N1)C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C20H20N2O4/c23-19(24)18-11-22(10-9-21-18)20(25)26-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17-18,21H,9-12H2,(H,23,24)
InChIKey
MVXOLCRCKMWZCB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
96.07
TPSA
78.87

LogP / Solubility

WLOGP
2.29
MLOGP
2.04
XLogP3
-0.1
Consensus LogP
1.41
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.21
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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