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CAS 479080-28-9 1-TERT-BUTYLOXYCARBONYL-3-(N-HYDROXYCARBAMIMIDOYL)PIPERIDINE molecular structure lightbox
CAS RN: 479080-28-9

1-TERT-BUTYLOXYCARBONYL-3-(N-HYDROXYCARBAMIMIDOYL)PIPERIDINE

  • Product code: SSC-154891
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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 479080-28-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

479080-28-9 / tert-butyl 3-[(Z)-N'-hydroxycarbamimidoyl]piperidine-1-carboxylate

Standard CAS: 479080-28-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
479080-28-9
Multi CAS
Yes
Molecular Formula
C11H21N3O3
Molecular Weight
243.300000
Exact Mass
243.158292
InChI
InChI=1S/C11H21N3O3/c1-11(2,3)17-10(15)14-6-4-5-8(7-14)9(12)13-16/h8,16H,4-7H2,1-3H3,(H2,12,13)
InChIKey
KCVBHZWEPHUWBW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.82
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
63.94
TPSA
88.15

LogP / Solubility

WLOGP
1.38
MLOGP
1.22
XLogP3
0.7
Consensus LogP
1.1
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
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)
-3.22

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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