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CAS 1353960-10-7 4-[(CarboxyMethyl-Methyl-aMino)-Methyl]-piperidine-1-carboxylic acid tert-butyl ester molecular structure lightbox
CAS RN: 1353960-10-7

4-[(CarboxyMethyl-Methyl-aMino)-Methyl]-piperidine-1-carboxylic acid tert-butyl ester

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260203 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1353960-10-7
  • Purity/Analytical Methods: >99.0%
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1353960-10-7 / 2-[methyl-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]amino]acetic acid

Standard CAS: 1353960-10-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1353960-10-7
Multi CAS
No
Molecular Formula
C14H26N2O4
Molecular Weight
286.370000
Exact Mass
286.189257
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)CN(C)CC(=O)O
InChI
InChI=1S/C14H26N2O4/c1-14(2,3)20-13(19)16-7-5-11(6-8-16)9-15(4)10-12(17)18/h11H,5-10H2,1-4H3,(H,17,18)
InChIKey
SYLGSQAJNYUKGF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.86
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
75.66
TPSA
70.08

LogP / Solubility

WLOGP
1.65
MLOGP
1.46
XLogP3
-0.8
Consensus LogP
0.77
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
Class (SILICOS-IT)
Poorly 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)
-3.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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