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CAS 1935586-88-1 (9H-Fluoren-9-yl)methyl 4-((tert-butoxycarbonyl)amino)piperidine-1-carboxylate molecular structure lightbox
CAS RN: 1935586-88-1

(9H-Fluoren-9-yl)methyl 4-((tert-butoxycarbonyl)amino)piperidine-1-carboxylate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260620 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: LINH899860
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1935586-88-1 / 9H-fluoren-9-ylmethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate

Standard CAS: 1935586-88-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1935586-88-1
Multi CAS
No
Molecular Formula
C25H30N2O4
Molecular Weight
422.500000
Exact Mass
422.220557
SMILES
CC(C)(C)OC(=O)NC1CCN(CC1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C25H30N2O4/c1-25(2,3)31-23(28)26-17-12-14-27(15-13-17)24(29)30-16-22-20-10-6-4-8-18(20)19-9-5-7-11-21(19)22/h4-11,17,22H,12-16H2,1-3H3,(H,26,28)
InChIKey
IWWMERGHDNCVDX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.44
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
119.03
TPSA
67.87

LogP / Solubility

WLOGP
4.92
MLOGP
4.36
XLogP3
4.5
Consensus LogP
4.59
Log S (ESOL)
-5.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.58
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.85
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.8

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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