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CAS 220218-58-6 tert-butyl 3-hydroxy-4-(hydroxyMethyl)piperidine-1-carboxylate molecular structure lightbox
CAS RN: 220218-58-6

tert-butyl 3-hydroxy-4-(hydroxyMethyl)piperidine-1-carboxylate

  • Product code: SSC-105926
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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: ＞95%
  • 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 220218-58-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

220218-58-6 / tert-butyl 3-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate

Standard CAS: 220218-58-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
220218-58-6
Multi CAS
No
Molecular Formula
C11H21NO4
Molecular Weight
231.290000
Exact Mass
231.147058
SMILES
CC(C)(C)OC(=O)N1CCC(C(C1)O)CO
InChI
InChI=1S/C11H21NO4/c1-11(2,3)16-10(15)12-5-4-8(7-13)9(14)6-12/h8-9,13-14H,4-7H2,1-3H3
InChIKey
ULXATPSIGBJTPI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
59.01
TPSA
70

LogP / Solubility

WLOGP
0.6
MLOGP
0.53
XLogP3
0.7
Consensus LogP
0.61
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.71

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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