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CAS 124842-29-1 tert-butyl N-[(3S)-2,5-dioxopyrrolidin-3-yl]carbamate molecular structure lightbox
CAS RN: 124842-29-1

tert-butyl N-[(3S)-2,5-dioxopyrrolidin-3-yl]carbamate

  • Product code: SSC-029110
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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
  • 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 124842-29-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Hong Kong Inquiry
0.25g ≥95% 5 In Stock Beijing Inquiry
1g ≥95% 5 In Stock Beijing Inquiry

124842-29-1 / tert-butyl N-[(3S)-2,5-dioxopyrrolidin-3-yl]carbamate

Standard CAS: 124842-29-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
124842-29-1
Multi CAS
No
Molecular Formula
C9H14N2O4
Molecular Weight
214.220000
Exact Mass
214.095357
SMILES
CC(C)(C)OC(=O)N[C@H]1CC(=O)NC1=O
InChI
InChI=1S/C9H14N2O4/c1-9(2,3)15-8(14)10-5-4-6(12)11-7(5)13/h5H,4H2,1-3H3,(H,10,14)(H,11,12,13)/t5-/m0/s1
InChIKey
ADNLCKRUARJETQ-YFKPBYRVSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
50.92
TPSA
84.5

LogP / Solubility

WLOGP
-0.07
MLOGP
-0.06
XLogP3
-0.2
Consensus LogP
-0.11
Log S (ESOL)
-1.06
Class (ESOL)
Soluble
Log S (Ali)
-1.26
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.11
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.08

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
2

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