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CAS 797801-61-7 1-Cbz-5-oxo-piperidine-2-carboxylic acid methyl ester molecular structure lightbox
CAS RN: 797801-61-7

1-Cbz-5-oxo-piperidine-2-carboxylic acid methyl ester

  • Product code: SSC-188864
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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: 1g
  • 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 797801-61-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

797801-61-7 / 1-O-benzyl 2-O-methyl 5-oxopiperidine-1,2-dicarboxylate

Standard CAS: 797801-61-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
797801-61-7
Multi CAS
No
Molecular Formula
C15H17NO5
Molecular Weight
291.300000
Exact Mass
291.110673
InChI
InChI=1S/C15H17NO5/c1-20-14(18)13-8-7-12(17)9-16(13)15(19)21-10-11-5-3-2-4-6-11/h2-6,13H,7-10H2,1H3
InChIKey
HFKHJRQXLOFHNO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
73.38
TPSA
72.91

LogP / Solubility

WLOGP
1.53
MLOGP
1.36
XLogP3
1.5
Consensus LogP
1.46
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.18
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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