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CAS 401811-98-1 tert-butyl 4-hydroxy-4-(2-hydroxyethyl)piperidine-1-carboxylate molecular structure lightbox
CAS RN: 401811-98-1

tert-butyl 4-hydroxy-4-(2-hydroxyethyl)piperidine-1-carboxylate

  • Product code: SSC-148217
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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, 10g
  • Available purity: >90%
  • Inventory rows with stock: 3
  • 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 401811-98-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >90% 1 In Stock Shanghai Inquiry
0.25g >90% 1 In Stock Hong Kong Inquiry
1g >90% 1 In Stock Hong Kong Inquiry
5g >90% 0 Out of Stock Beijing Inquiry
10g >90% 0 Out of Stock Shanghai Inquiry

401811-98-1 / tert-butyl 4-hydroxy-4-(2-hydroxyethyl)piperidine-1-carboxylate

Standard CAS: 401811-98-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
401811-98-1
Multi CAS
No
Molecular Formula
C12H23NO4
Molecular Weight
245.320000
Exact Mass
245.162708
InChI
InChI=1S/C12H23NO4/c1-11(2,3)17-10(15)13-7-4-12(16,5-8-13)6-9-14/h14,16H,4-9H2,1-3H3
InChIKey
DXUFJDVFJIEMIP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
63.69
TPSA
70

LogP / Solubility

WLOGP
1.13
MLOGP
1
XLogP3
1
Consensus LogP
1.04
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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