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CAS 153976-27-3 6-(4-METHYLPIPERAZIN-1-YL)-2-BROMOPYRIDINE molecular structure lightbox
CAS RN: 153976-27-3

6-(4-METHYLPIPERAZIN-1-YL)-2-BROMOPYRIDINE

  • Product code: SSC-063348
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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 153976-27-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 3 In Stock Beijing Inquiry
0.25g ≥95% 3 In Stock Hong Kong Inquiry
1g ≥95% 3 In Stock Beijing Inquiry
5g ≥95% 2 In Stock Shanghai Inquiry
10g ≥95% 2 In Stock Beijing Inquiry

153976-27-3 / 1-(6-bromo-2-pyridinyl)-4-methylpiperazine

Standard CAS: 153976-27-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
153976-27-3
Multi CAS
No
Molecular Formula
C10H14BrN3
Molecular Weight
256.140000
Exact Mass
255.037110
SMILES
CN1CCN(CC1)C2=NC(=CC=C2)Br
InChI
InChI=1S/C10H14BrN3/c1-13-5-7-14(8-6-13)10-4-2-3-9(11)12-10/h2-4H,5-8H2,1H3
InChIKey
KEYDJYZYBWRMLD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
61.65
TPSA
19.37

LogP / Solubility

WLOGP
1.6
MLOGP
1.41
XLogP3
2.1
Consensus LogP
1.7
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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