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CAS 845267-78-9 TERT-BUTYL 2,4-DIOXOPIPERIDINE-1-CARBOXYLATE molecular structure lightbox
CAS RN: 845267-78-9

TERT-BUTYL 2,4-DIOXOPIPERIDINE-1-CARBOXYLATE

  • Product code: SSC-192027
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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: 1g, 5g, 10g, 25g, 100g, 500g, 1000g
  • Available purity: >98%
  • 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 845267-78-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >98% 5 In Stock Shenzhen Inquiry
5g >98% 5 In Stock Shanghai Inquiry
10g >98% 5 In Stock Beijing Inquiry
25g >98% 5 In Stock Shenzhen Inquiry
100g >98% 5 In Stock Shenzhen Inquiry
500g >98% 0 Out of Stock Hong Kong Inquiry
1000g >98% 0 Out of Stock Hong Kong Inquiry

845267-78-9 / tert-butyl 2,4-dioxopiperidine-1-carboxylate

Standard CAS: 845267-78-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
845267-78-9
Multi CAS
Yes
Molecular Formula
C10H15NO4
Molecular Weight
213.230000
Exact Mass
213.100108
InChI
InChI=1S/C10H15NO4/c1-10(2,3)15-9(14)11-5-4-7(12)6-8(11)13/h4-6H2,1-3H3
InChIKey
SLCAHLSQXDNQSF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.7
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
52.19
TPSA
63.68

LogP / Solubility

WLOGP
1.11
MLOGP
0.98
XLogP3
0.5
Consensus LogP
0.86
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.97
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)
-3.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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