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CAS 1291351-83-1 Methyl 5-({[(tert-butoxy)carbonyl]aMino}Methyl)piperidine-2-carboxylate molecular structure lightbox
CAS RN: 1291351-83-1

Methyl 5-({[(tert-butoxy)carbonyl]aMino}Methyl)piperidine-2-carboxylate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260227 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1291351-83-1
  • Purity/Analytical Methods: >99.0%
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1291351-83-1 / methyl 5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-2-carboxylate

Standard CAS: 1291351-83-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1291351-83-1
Multi CAS
No
Molecular Formula
C13H24N2O4
Molecular Weight
272.340000
Exact Mass
272.173607
SMILES
CC(C)(C)OC(=O)NCC1CCC(NC1)C(=O)OC
InChI
InChI=1S/C13H24N2O4/c1-13(2,3)19-12(17)15-8-9-5-6-10(14-7-9)11(16)18-4/h9-10,14H,5-8H2,1-4H3,(H,15,17)
InChIKey
IUKCWZAMOFLESG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.85
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
70.77
TPSA
76.66

LogP / Solubility

WLOGP
1.05
MLOGP
0.93
XLogP3
1.2
Consensus LogP
1.06
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.63

Drug-likeness / Medicinal Chemistry

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

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