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CAS 841-77-0 1-Benzhydrylpiperazine molecular structure lightbox
CAS RN: 841-77-0

1-Benzhydrylpiperazine

Product Availability

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8 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250226 100g In stock Inquiry
Batchno.20260602 25g In stock Inquiry
Batchno.20251018 500g In stock Inquiry
Batchno.20251106 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260411 100g In stock Shanghai, Shenzhen Inquiry
Batchno.20250210 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250423 500g In stock Shanghai Inquiry
Batchno.20250212 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Hebei Inquiry
  • Product code: SSC-191689
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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: 100g
  • Available purity: >97%
  • 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 841-77-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g >97% 0 Out of Stock Hong Kong Inquiry

841-77-0 / 1-benzhydrylpiperazine

Standard CAS: 841-77-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
841-77-0
Multi CAS
Yes
Molecular Formula
C17H20N2
Molecular Weight
252.350000
Exact Mass
252.162649
InChI
InChI=1S/C17H20N2/c1-3-7-15(8-4-1)17(16-9-5-2-6-10-16)19-13-11-18-12-14-19/h1-10,17-18H,11-14H2
InChIKey
NWVNXDKZIQLBNM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
79.17
TPSA
15.27

LogP / Solubility

WLOGP
2.68
MLOGP
2.37
XLogP3
2.8
Consensus LogP
2.62
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.36

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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