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CAS 158574-77-7 (2S-trans)-5-Hydroxy-1,2-piperidinedicarboxylic acid 1-(tert-butyl) ester molecular structure lightbox
CAS RN: 158574-77-7

(2S-trans)-5-Hydroxy-1,2-piperidinedicarboxylic acid 1-(tert-butyl) ester

  • Product code: SSC-066867
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 158574-77-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 1 In Stock Hong Kong Inquiry
0.1g >97% 1 In Stock Shenzhen Inquiry
0.25g -- 1 In Stock Hong Kong Inquiry
0.25g >97% 1 In Stock Hong Kong Inquiry
1g -- 0 Out of Stock Shanghai Inquiry
1g >97% 0 Out of Stock Hong Kong Inquiry

158574-77-7 / (2S,5R)-5-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid

Standard CAS: 158574-77-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
158574-77-7
Multi CAS
No
Molecular Formula
C11H19NO5
Molecular Weight
245.270000
Exact Mass
245.126323
SMILES
CC(C)(C)OC(=O)N1C[C@@H](CC[C@H]1C(=O)O)O
InChI
InChI=1S/C11H19NO5/c1-11(2,3)17-10(16)12-6-7(13)4-5-8(12)9(14)15/h7-8,13H,4-6H2,1-3H3,(H,14,15)/t7-,8+/m1/s1
InChIKey
DKOIPAZERNXIHU-SFYZADRCSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.82
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
59.6
TPSA
87.07

LogP / Solubility

WLOGP
0.83
MLOGP
0.74
XLogP3
0.6
Consensus LogP
0.72
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.06
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)
-3.63

Drug-likeness / Medicinal Chemistry

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

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