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CAS 160401-16-1 N-Boc-5-oxo-DL-proline molecular structure lightbox
CAS RN: 160401-16-1

N-Boc-5-oxo-DL-proline

  • Product code: SSC-068396
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 160401-16-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

160401-16-1 / 1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid

Standard CAS: 160401-16-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
160401-16-1
Multi CAS
No
Molecular Formula
C10H15NO5
Molecular Weight
229.230000
Exact Mass
229.095023
SMILES
CC(C)(C)OC(=O)N1C(CCC1=O)C(=O)O
InChI
InChI=1S/C10H15NO5/c1-10(2,3)16-9(15)11-6(8(13)14)4-5-7(11)12/h6H,4-5H2,1-3H3,(H,13,14)
InChIKey
MJLQPFJGZTYCMH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.7
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
53.74
TPSA
83.91

LogP / Solubility

WLOGP
1
MLOGP
0.88
XLogP3
0.6
Consensus LogP
0.83
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.1
Class (SILICOS-IT)
Moderately 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)
-3.41

Drug-likeness / Medicinal Chemistry

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

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