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CAS 280111-50-4 Benzyl 4-(2-(tert-butoxycarbonyl)hydrazinyl)piperidine-1-carboxylate molecular structure lightbox
CAS RN: 280111-50-4

Benzyl 4-(2-(tert-butoxycarbonyl)hydrazinyl)piperidine-1-carboxylate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250127 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-128574
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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 280111-50-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

280111-50-4 / benzyl 4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidine-1-carboxylate

Standard CAS: 280111-50-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
280111-50-4
Multi CAS
No
Molecular Formula
C18H27N3O4
Molecular Weight
349.400000
Exact Mass
349.200156
SMILES
CC(C)(C)OC(=O)NNC1CCN(CC1)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C18H27N3O4/c1-18(2,3)25-16(22)20-19-15-9-11-21(12-10-15)17(23)24-13-14-7-5-4-6-8-14/h4-8,15,19H,9-13H2,1-3H3,(H,20,22)
InChIKey
KCELIGHSCQKNIR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
93.73
TPSA
79.9

LogP / Solubility

WLOGP
2.82
MLOGP
2.5
XLogP3
2.6
Consensus LogP
2.64
Log S (ESOL)
-3.69
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.75
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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