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CAS 501903-60-2 1-(4-BroMo-2-Methylphenyl)piperazine molecular structure lightbox
CAS RN: 501903-60-2

1-(4-BroMo-2-Methylphenyl)piperazine

  • Product code: SSC-156591
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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, 5g, 10g, 1g
  • 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 501903-60-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 3 In Stock Shenzhen Inquiry
0.25g >97% 3 In Stock Shenzhen Inquiry
5g >97% 2 In Stock Hong Kong Inquiry
10g >97% 2 In Stock Shanghai Inquiry
1g >97% 1 In Stock Beijing Inquiry

501903-60-2 / 1-(4-bromo-2-methylphenyl)piperazine

Standard CAS: 501903-60-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
501903-60-2
Multi CAS
No
Molecular Formula
BC11H15Rn2
Molecular Weight
255.150000
Exact Mass
254.041860
InChI
InChI=1S/C11H15BrN2/c1-9-8-10(12)2-3-11(9)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3
InChIKey
QHGLIYDUBUVNLV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
63.96
TPSA
15.27

LogP / Solubility

WLOGP
2.17
MLOGP
1.91
XLogP3
2.9
Consensus LogP
2.33
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.24
Class (SILICOS-IT)
Poorly 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)
-2.74

Drug-likeness / Medicinal Chemistry

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

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