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CAS 3546-41-6 PYRVINIUM PAMOATE molecular structure lightbox
CAS RN: 3546-41-6

PYRVINIUM PAMOATE

Product Availability

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2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250711 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251101 10mg / 50mg / 250mg Confirm by inquiry Guangdong, Shanghai Inquiry
  • Product code: SSC-142478
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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: 0.25g
  • 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 3546-41-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

3546-41-6 / 3-carboxy-1-[(3-carboxy-2-oxidonaphthalen-1-yl)methyl]naphthalen-2-olate;bis(2-[(E)-2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethenyl]-N,N,1-trimethylquinolin-1-ium-6-amine)

Standard CAS: 3546-41-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
3546-41-6
Multi CAS
Yes
Molecular Formula
C75H70N6O6
Molecular Weight
1151.400000
Exact Mass
1150.535684
InChI
InChI=1S/2C26H28N3.C23H16O6/c2*1-19-17-21(20(2)29(19)24-9-7-6-8-10-24)11-13-23-14-12-22-18-25(27(3)4)15-16-26(22)28(23)5;24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h2*6-18H,1-5H3;1-10,24-25H,11H2,(H,26,27)(H,28,29)/q2*+1;/p-2
InChIKey
OOPDAHSJBRZRPH-UHFFFAOYSA-L

Physical Properties

Melting Point
410 to 419 °F (NTP, 1992)
Physical Description
Pyrvinium pamoate appears as odorless bright orange or orange-red to brownish red or almost black fluffy powder. Melting point 210-215 °C. Insoluble in water. Tasteless.
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
87
Aromatic heavy atom count
62
Fraction Csp3
0.15
Rotatable bonds
12
H-bond acceptors
8
H-bond donors
2
Molar refractivity
350.76
TPSA
144.82

LogP / Solubility

WLOGP
13.74
MLOGP
12.21
XLogP3
13.74
Consensus LogP
13.23
Log S (ESOL)
-15.37
Class (ESOL)
Insoluble
Log S (Ali)
-18.92
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-19.99
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.01

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8.5

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