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CAS 31633-72-4 methyl 3-methyl-4-oxopiperidine-1-carboxylate molecular structure lightbox
CAS RN: 31633-72-4

methyl 3-methyl-4-oxopiperidine-1-carboxylate

  • Product code: SSC-137057
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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
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 31633-72-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shenzhen Inquiry
0.25g >95% 5 In Stock Hong Kong Inquiry
1g >95% 5 In Stock Shenzhen Inquiry
5g >95% 5 In Stock Shanghai Inquiry

31633-72-4 / methyl 3-methyl-4-oxopiperidine-1-carboxylate

Standard CAS: 31633-72-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
31633-72-4
Multi CAS
No
Molecular Formula
C8H13NO3
Molecular Weight
171.190000
Exact Mass
171.089543
InChI
InChI=1S/C8H13NO3/c1-6-5-9(8(11)12-2)4-3-7(6)10/h6H,3-5H2,1-2H3
InChIKey
JWXGBLNGCIGLBH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
42.77
TPSA
46.61

LogP / Solubility

WLOGP
0.66
MLOGP
0.58
XLogP3
0.2
Consensus LogP
0.48
Log S (ESOL)
-1.32
Class (ESOL)
Soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.32
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)
-3.29

Drug-likeness / Medicinal Chemistry

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

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