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CAS 1160923-86-3 tert-Butyl 4-((6-bromopyridin-3-yl)methyl)piperazine-1-carboxylate molecular structure lightbox
CAS RN: 1160923-86-3

tert-Butyl 4-((6-bromopyridin-3-yl)methyl)piperazine-1-carboxylate

  • Product code: SSC-016220
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1160923-86-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Hong Kong Inquiry
0.25g ≥95% 5 In Stock Beijing Inquiry
1g ≥95% 5 In Stock Shenzhen Inquiry
5g ≥95% 5 In Stock Hong Kong Inquiry
10g ≥95% 5 In Stock Shanghai Inquiry

1160923-86-3 / tert-butyl 4-[(6-bromo-3-pyridinyl)methyl]piperazine-1-carboxylate

tert-Butyl 4-((6-bromopyridin-3-yl)methyl)piperazine-1-carboxylate | MFCD20502296 | tert-butyl 4-[(6-bromopyridin-3-yl)methyl]piperazine-1-carboxylate

Standard CAS: 1160923-86-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1160923-86-3
Multi CAS
No
Molecular Formula
C15H22BrN3O2
Molecular Weight
356.260000
Exact Mass
355.089540
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)CC2=CN=C(C=C2)Br
InChI
InChI=1S/C15H22BrN3O2/c1-15(2,3)21-14(20)19-8-6-18(7-9-19)11-12-4-5-13(16)17-10-12/h4-5,10H,6-9,11H2,1-3H3
InChIKey
QRCIVOIEHSUADI-UHFFFAOYSA-N
Synonyms
tert-Butyl 4-((6-bromopyridin-3-yl)methyl)piperazine-1-carboxylate MFCD20502296 tert-butyl 4-[(6-bromopyridin-3-yl)methyl]piperazine-1-carboxylate 1-Piperazinecarboxylic acid, 4-[(6-bromo-3-pyridinyl)methyl]-, 1,1-dimethylethyl ester 1-Boc-4-[(6-bromo-3-pyridyl)methyl]piperazine

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
85.02
TPSA
45.67

LogP / Solubility

WLOGP
2.9
MLOGP
2.57
XLogP3
2.4
Consensus LogP
2.62
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.62
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)
-2.84

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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