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CAS 66698-28-0 1-(4-BROMOPHENYL)PIPERAZINE molecular structure lightbox
CAS RN: 66698-28-0

1-(4-BROMOPHENYL)PIPERAZINE

  • Product code: SSC-176388
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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: 1g, 5g, 25g, 10g, 100g, 500g
  • Available purity: >97%
  • 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 66698-28-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shenzhen Inquiry
5g >97% 5 In Stock Shanghai Inquiry
25g >97% 5 In Stock Beijing Inquiry
10g >97% 4 In Stock Shenzhen Inquiry
100g >97% 2 In Stock Shenzhen Inquiry
500g >97% 0 Out of Stock Hong Kong Inquiry

66698-28-0 / 1-(4-bromophenyl)piperazine

Standard CAS: 66698-28-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
66698-28-0
Multi CAS
No
Molecular Formula
BC10H13Rn2
Molecular Weight
241.130000
Exact Mass
240.026210
InChI
InChI=1S/C10H13BrN2/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13/h1-4,12H,5-8H2
InChIKey
PJHPFAFEJNBIDC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
59.22
TPSA
15.27

LogP / Solubility

WLOGP
1.86
MLOGP
1.64
XLogP3
1.9
Consensus LogP
1.8
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.87

Drug-likeness / Medicinal Chemistry

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

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