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CAS 320590-29-2 3-N-CBZ-AMINO-CYCLOHEXANONE molecular structure lightbox
CAS RN: 320590-29-2

3-N-CBZ-AMINO-CYCLOHEXANONE

  • Product code: SSC-137530
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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: 10g
  • 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 320590-29-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Shanghai Inquiry

320590-29-2 / benzyl N-(3-oxocyclohexyl)carbamate

Standard CAS: 320590-29-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
320590-29-2
Multi CAS
Yes
Molecular Formula
C14H17NO3
Molecular Weight
247.290000
Exact Mass
247.120843
InChI
InChI=1S/C14H17NO3/c16-13-8-4-7-12(9-13)15-14(17)18-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,15,17)
InChIKey
NDTIOGCPRWWFJC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
67.03
TPSA
55.4

LogP / Solubility

WLOGP
2.42
MLOGP
2.14
XLogP3
1.7
Consensus LogP
2.09
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.51

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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