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CAS 31502-87-1 1,4-Bis(7-chloroquinolin-4-yl)piperazine molecular structure lightbox
CAS RN: 31502-87-1

1,4-Bis(7-chloroquinolin-4-yl)piperazine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250728 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-136898
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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: 1g
  • Available purity: ≥95%
  • 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 31502-87-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

31502-87-1 / 7-chloro-4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]quinoline

Standard CAS: 31502-87-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
31502-87-1
Multi CAS
No
Molecular Formula
C22H18CL2N4
Molecular Weight
409.300000
Exact Mass
408.090852
InChI
InChI=1S/C22H18Cl2N4/c23-15-1-3-17-19(13-15)25-7-5-21(17)27-9-11-28(12-10-27)22-6-8-26-20-14-16(24)2-4-18(20)22/h1-8,13-14H,9-12H2
InChIKey
XSMHXIXQAIQGTD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
20
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
117.93
TPSA
32.26

LogP / Solubility

WLOGP
5.42
MLOGP
4.79
XLogP3
5.4
Consensus LogP
5.2
Log S (ESOL)
-6.19
Class (ESOL)
Insoluble
Log S (Ali)
-6.83
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.06
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.37

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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