[email protected]
CAS 4085-31-8 Piperaquinoline molecular structure lightbox
CAS RN: 4085-31-8

Piperaquinoline

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260321 1g / 5g / 25g Confirm by inquiry Shanghai 15 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260523 1mg Out of stock Inquiry
Batchno.20250404 25mg In stock Inquiry
Batchno.20250906 5mg In stock Inquiry
  • Product code: starshine_CAS4085-31-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

4085-31-8 / 7-chloro-4-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]quinoline

Standard CAS: 4085-31-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4085-31-8
Multi CAS
Yes
Molecular Formula
C29H32CL2N6
Molecular Weight
535.500000
Exact Mass
534.206550
InChI
InChI=1S/C29H32Cl2N6/c30-22-2-4-24-26(20-22)32-8-6-28(24)36-16-12-34(13-17-36)10-1-11-35-14-18-37(19-15-35)29-7-9-33-27-21-23(31)3-5-25(27)29/h2-9,20-21H,1,10-19H2
InChIKey
UCRHFBCYFMIWHC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
20
Fraction Csp3
0.38
Rotatable bonds
6
H-bond acceptors
6
Molar refractivity
155.43
TPSA
38.74

LogP / Solubility

WLOGP
5.42
MLOGP
4.81
XLogP3
5.6
Consensus LogP
5.28
Log S (ESOL)
-6.58
Class (ESOL)
Insoluble
Log S (Ali)
-7.87
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.36
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.14

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
5.5

Customers Also Viewed

Get In Touch

Contact Us