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CAS 368879-17-8 1-(4-Bromobenzyl)-4-methylpiperazine molecular structure lightbox
CAS RN: 368879-17-8

1-(4-Bromobenzyl)-4-methylpiperazine

Product Availability

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8 package records8 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260312 1g In stock Inquiry
Batchno.20251030 250mg In stock Inquiry
Batchno.20250201 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250625 100mg / 250mg Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251204 10g In stock Shanghai Inquiry
Batchno.20260629 1g In stock Shanghai Inquiry
Batchno.20251102 250mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260607 5g In stock Shanghai Inquiry
  • Product code: SSC-144163
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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: 5g
  • Available purity: ≥98%
  • 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 368879-17-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Shanghai Inquiry

368879-17-8 / 1-[(4-bromophenyl)methyl]-4-methylpiperazine

Standard CAS: 368879-17-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
368879-17-8
Multi CAS
No
Molecular Formula
BC12H17Rn2
Molecular Weight
269.180000
Exact Mass
268.057510
InChI
InChI=1S/C12H17BrN2/c1-14-6-8-15(9-7-14)10-11-2-4-12(13)5-3-11/h2-5H,6-10H2,1H3
InChIKey
CXAOXDKQUDHTBK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
66.92
TPSA
6.48

LogP / Solubility

WLOGP
2.2
MLOGP
1.94
XLogP3
2.3
Consensus LogP
2.15
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
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)
-2.8

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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