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CAS 1042917-47-4 tert-butyl 1-(5-bromopyridin-2-yl)piperidin-4-ylcarbamate molecular structure lightbox
CAS RN: 1042917-47-4

tert-butyl 1-(5-bromopyridin-2-yl)piperidin-4-ylcarbamate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260505 250mg In stock Shanghai Inquiry
  • Product code: SSC-006049
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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 1042917-47-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1042917-47-4 / tert-butyl N-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]carbamate

2-[4-(Boc-amino)-1-piperidinyl]-5-bromopyridine | tert-butyl N-[1-(5-bromo-2-pyridyl)-4-piperidyl]carbamate | MFCD24369996

Standard CAS: 1042917-47-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1042917-47-4
Multi CAS
No
Molecular Formula
C15H22BrN3O2
Molecular Weight
356.260000
Exact Mass
355.089540
SMILES
CC(C)(C)OC(=O)NC1CCN(CC1)C2=NC=C(C=C2)Br
InChI
InChI=1S/C15H22BrN3O2/c1-15(2,3)21-14(20)18-12-6-8-19(9-7-12)13-5-4-11(16)10-17-13/h4-5,10,12H,6-9H2,1-3H3,(H,18,20)
InChIKey
LCSWTWAKDIYLGE-UHFFFAOYSA-N
Synonyms
2-[4-(Boc-amino)-1-piperidinyl]-5-bromopyridine tert-butyl N-[1-(5-bromo-2-pyridyl)-4-piperidyl]carbamate MFCD24369996 tert-butyl N-[1-(5-bromopyridin-2-yl)piperidin-4-yl]carbamate SCHEMBL3025692

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
86.54
TPSA
54.46

LogP / Solubility

WLOGP
3.34
MLOGP
2.96
XLogP3
3.3
Consensus LogP
3.2
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.99
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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