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CAS 841286-80-4 1-Piperidinecarboxylic acid, 3-hydroxy-4,4-diMethoxy-, 1,1-diMethylethyl ester molecular structure lightbox
CAS RN: 841286-80-4

1-Piperidinecarboxylic acid, 3-hydroxy-4,4-diMethoxy-, 1,1-diMethylethyl ester

  • Product code: SSC-191710
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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: 25g, 0.25g, 10g, 1g, 5g
  • Available purity: >95%
  • 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 841286-80-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >95% 2 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
10g >95% 1 In Stock Shanghai Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry
5g >95% 0 Out of Stock Beijing Inquiry

841286-80-4 / tert-butyl 3-hydroxy-4,4-dimethoxypiperidine-1-carboxylate

Standard CAS: 841286-80-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
841286-80-4
Multi CAS
Yes
Molecular Formula
C12H23NO5
Molecular Weight
261.310000
Exact Mass
261.157623
InChI
InChI=1S/C12H23NO5/c1-11(2,3)18-10(15)13-7-6-12(16-4,17-5)9(14)8-13/h9,14H,6-8H2,1-5H3
InChIKey
NJRYBJQLRONERE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
65.18
TPSA
68.23

LogP / Solubility

WLOGP
0.98
MLOGP
0.87
XLogP3
0.3
Consensus LogP
0.72
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.41
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)
-3.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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