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CAS 2227197-47-7 bis(tert-butyl N-[(3R,4S)-4-methoxypiperidin-3-yl]carbamate) molecular structure lightbox
CAS RN: 2227197-47-7

bis(tert-butyl N-[(3R,4S)-4-methoxypiperidin-3-yl]carbamate)

  • Product code: SSC-107400
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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: 0.05g, 0.1g, 0.25g, 1g
  • Available purity: >97%
  • 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 2227197-47-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g >97% 1 In Stock Hong Kong Inquiry
0.1g >97% 1 In Stock Shenzhen Inquiry
0.25g >97% 1 In Stock Hong Kong Inquiry
1g >97% 0 Out of Stock Shanghai Inquiry

2227197-47-7 / bis(tert-butyl N-[(3R,4S)-4-methoxypiperidin-3-yl]carbamate);oxalic acid

Standard CAS: 2227197-47-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2227197-47-7
Multi CAS
No
Molecular Formula
C24H46N4O10
Molecular Weight
550.600000
Exact Mass
550.321394
SMILES
CC(C)(C)OC(=O)N[C@@H]1CNCC[C@@H]1OC.CC(C)(C)OC(=O)N[C@@H]1CNCC[C@@H]1OC.C(=O)(C(=O)O)O
InChI
InChI=1S/2C11H22N2O3.C2H2O4/c2*1-11(2,3)16-10(14)13-8-7-12-6-5-9(8)15-4;3-1(4)2(5)6/h2*8-9,12H,5-7H2,1-4H3,(H,13,14);(H,3,4)(H,5,6)/t2*8-,9+;/m11./s1
InChIKey
HMGRHEKFNXWMHP-KAVFMPKWSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Fraction Csp3
0.83
Rotatable bonds
4
H-bond acceptors
10
H-bond donors
6
Molar refractivity
138.15
TPSA
193.78

LogP / Solubility

WLOGP
0.93
MLOGP
0.86
XLogP3
0.93
Consensus LogP
0.91
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.49
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.42

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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