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CAS 887584-43-2 1-BOC-3-(4-BROMO-BENZYLAMINO)-PIPERIDINE molecular structure lightbox
CAS RN: 887584-43-2

1-BOC-3-(4-BROMO-BENZYLAMINO)-PIPERIDINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250923 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-200370
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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 887584-43-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

887584-43-2 / tert-butyl 3-[(4-bromophenyl)methylamino]piperidine-1-carboxylate

Standard CAS: 887584-43-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
887584-43-2
Multi CAS
No
Molecular Formula
BC17H25O2Rn2
Molecular Weight
369.300000
Exact Mass
368.109940
InChI
InChI=1S/C17H25BrN2O2/c1-17(2,3)22-16(21)20-10-4-5-15(12-20)19-11-13-6-8-14(18)9-7-13/h6-9,15,19H,4-5,10-12H2,1-3H3
InChIKey
WLTNTLZNFINQER-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
91.81
TPSA
41.57

LogP / Solubility

WLOGP
3.94
MLOGP
3.49
XLogP3
3.4
Consensus LogP
3.61
Log S (ESOL)
-4.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.69
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
Yes
Log Kp (skin permeation)
-2.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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