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CAS 22204-24-6 Pyrantel pamoate molecular structure lightbox
CAS RN: 22204-24-6

Pyrantel pamoate

  • Product code: SSC-106789
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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: 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 22204-24-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

22204-24-6 / 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;1-methyl-2-[(E)-2-thiophen-2-ylethenyl]-5,6-dihydro-4H-pyrimidine

Standard CAS: 22204-24-6 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
22204-24-6
Multi CAS
No
Molecular Formula
C34H30N2O6S
Molecular Weight
594.700000
Exact Mass
594.182458
SMILES
CN1CCCN=C1/C=C/C2=CC=CS2.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O
InChI
InChI=1S/C23H16O6.C11H14N2S/c24-20-16(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;1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2,4-6,9H,3,7-8H2,1H3/b;6-5+
InChIKey
AQXXZDYPVDOQEE-MXDQRGINSA-N

Physical Properties

Melting Point
511 to 513 °F (decomposes) (NTP, 1992)
Physical Description
Pyrantel pamoate is an odorless light yellow to tan crystalline powder. Tasteless. Used medicinally against nematodes in animals.
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
43
Aromatic heavy atom count
25
Fraction Csp3
0.15
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
4
Molar refractivity
170.85
TPSA
130.66

LogP / Solubility

WLOGP
6.89
MLOGP
6.11
XLogP3
6.89
Consensus LogP
6.63
Log S (ESOL)
-7.9
Class (ESOL)
Insoluble
Log S (Ali)
-9.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.96
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.46

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5

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