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CAS 193023-00-6 1-(tert-butoxycarbonyl)-4-(hydroxymethyl)piperidine-4-carboxylic acid molecular structure lightbox
CAS RN: 193023-00-6

1-(tert-butoxycarbonyl)-4-(hydroxymethyl)piperidine-4-carboxylic acid

  • Product code: SSC-090264
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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: ≥95%
  • Inventory rows with stock: 5
  • 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 193023-00-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Shenzhen Inquiry
0.25g ≥95% 5 In Stock Shanghai Inquiry
1g ≥95% 5 In Stock Beijing Inquiry
5g ≥95% 5 In Stock Shanghai Inquiry
10g ≥95% 5 In Stock Shenzhen Inquiry

193023-00-6 / 4-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid

Standard CAS: 193023-00-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
193023-00-6
Multi CAS
No
Molecular Formula
C12H21NO5
Molecular Weight
259.300000
Exact Mass
259.141973
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(CO)C(=O)O
InChI
InChI=1S/C12H21NO5/c1-11(2,3)18-10(17)13-6-4-12(8-14,5-7-13)9(15)16/h14H,4-8H2,1-3H3,(H,15,16)
InChIKey
IHFIPZCVDNTGRZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
64.2
TPSA
87.07

LogP / Solubility

WLOGP
1.08
MLOGP
0.96
XLogP3
0.3
Consensus LogP
0.78
Log S (ESOL)
-2
Class (ESOL)
Soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.53

Drug-likeness / Medicinal Chemistry

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

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