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CAS 254882-09-2 (2S,4S)-4-Amino-1,2-piperidinedicarboxylic acid 1-(1,1-dimethylethyl) 2-methyl ester molecular structure lightbox
CAS RN: 254882-09-2

(2S,4S)-4-Amino-1,2-piperidinedicarboxylic acid 1-(1,1-dimethylethyl) 2-methyl ester

  • Product code: SSC-121462
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 254882-09-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

254882-09-2 / 1-O-tert-butyl 2-O-methyl (2S,4S)-4-aminopiperidine-1,2-dicarboxylate

Standard CAS: 254882-09-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
254882-09-2
Multi CAS
No
Molecular Formula
C12H22N2O4
Molecular Weight
258.310000
Exact Mass
258.157957
SMILES
CC(C)(C)OC(=O)N1CC[C@@H](C[C@H]1C(=O)OC)N
InChI
InChI=1S/C12H22N2O4/c1-12(2,3)18-11(16)14-6-5-8(13)7-9(14)10(15)17-4/h8-9H,5-7,13H2,1-4H3/t8-,9-/m0/s1
InChIKey
PVCVXOYIRODFJD-IUCAKERBSA-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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