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CAS 206111-36-6 1-(tert-butyl) 4-ethyl (3R,4R)-3-hydroxypiperidine-1,4-dicarboxylate molecular structure lightbox
CAS RN: 206111-36-6

1-(tert-butyl) 4-ethyl (3R,4R)-3-hydroxypiperidine-1,4-dicarboxylate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250813 100mg / 250mg / 1g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-097180
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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, 5g
  • 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 206111-36-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Shenzhen Inquiry
0.25g >97% 1 In Stock Shanghai Inquiry
1g >97% 1 In Stock Hong Kong Inquiry
5g >97% 1 In Stock Beijing Inquiry

206111-36-6 / 1-O-tert-butyl 4-O-ethyl (3R,4R)-3-hydroxypiperidine-1,4-dicarboxylate

Standard CAS: 206111-36-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
206111-36-6
Multi CAS
No
Molecular Formula
C13H23NO5
Molecular Weight
273.330000
Exact Mass
273.157623
SMILES
CCOC(=O)[C@@H]1CCN(C[C@@H]1O)C(=O)OC(C)(C)C
InChI
InChI=1S/C13H23NO5/c1-5-18-11(16)9-6-7-14(8-10(9)15)12(17)19-13(2,3)4/h9-10,15H,5-8H2,1-4H3/t9-,10+/m1/s1
InChIKey
AKHBRSJRXLGZJK-ZJUUUORDSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.85
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
68.55
TPSA
76.07

LogP / Solubility

WLOGP
1.17
MLOGP
1.04
XLogP3
1.4
Consensus LogP
1.2
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
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)
-3.56

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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