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CAS 915976-35-1 (2S,5R)-5-Amino-1,2-piperidinedicarboxylic acid 1-(tert-butyl) 2-methyl ester molecular structure lightbox
CAS RN: 915976-35-1

(2S,5R)-5-Amino-1,2-piperidinedicarboxylic acid 1-(tert-butyl) 2-methyl ester

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260513 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS915976-35-1
  • Purity/Analytical Methods: >99.0%
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915976-35-1 / 1-O-tert-butyl 2-O-methyl (2S,5R)-5-aminopiperidine-1,2-dicarboxylate

Standard CAS: 915976-35-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
915976-35-1
Multi CAS
Yes
Molecular Formula
C12H22N2O4
Molecular Weight
258.310000
Exact Mass
258.157957
InChI
InChI=1S/C12H22N2O4/c1-12(2,3)18-11(16)14-7-8(13)5-6-9(14)10(15)17-4/h8-9H,5-7,13H2,1-4H3/t8-,9+/m1/s1
InChIKey
VSYXYJDOKAFLDT-BDAKNGLRSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
65.95
TPSA
81.86

LogP / Solubility

WLOGP
0.89
MLOGP
0.79
XLogP3
0.7
Consensus LogP
0.79
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.67

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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