[email protected]
CAS 915967-82-7 Piperaquine Tetraphosphate Tetrahydrate molecular structure lightbox
CAS RN: 915967-82-7

Piperaquine Tetraphosphate Tetrahydrate

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250508 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: ICTP1987
  • Purity/Analytical Methods: >98.0%(HPLC)(N)
GET A QUOTE

915967-82-7 / 7-chloro-4-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]quinoline;phosphoric acid;tetrahydrate

Standard CAS: 915967-82-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
915967-82-7
Multi CAS
Yes
Molecular Formula
C29H52CL2N6O20P4
Molecular Weight
999.500000
Exact Mass
998.156391
InChI
InChI=1S/C29H32Cl2N6.4H3O4P.4H2O/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;4*1-5(2,3)4;;;;/h2-9,20-21H,1,10-19H2;4*(H3,1,2,3,4);4*1H2
InChIKey
AMCQDGFOKTXHSY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
61
Aromatic heavy atom count
20
Fraction Csp3
0.38
Rotatable bonds
6
H-bond acceptors
10
H-bond donors
12
Molar refractivity
226.94
TPSA
475.78

LogP / Solubility

WLOGP
-1.59
MLOGP
-1.3
XLogP3
-1.59
Consensus LogP
-1.49
Log S (ESOL)
-4.88
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.61
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-5.56
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-9.95

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

Customers Also Viewed

Get In Touch

Contact Us