Apafant

3-[7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-4-yl]-1-morpholin-4-ylpropan-1-one

CAS: 105219-56-5

Molecular Formula	`C22H22ClN5O2S`
Molecular Weight	456.0 g/mol
LogP	1.1
Topological Polar Surface Area	101.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	4
Exact Mass	455.1183
Heavy Atoms	31
Complexity	691.0

Chemical Identifiers

CAS Number	105219-56-5
SMILES	`CC1=NN=C2N1C3=C(C=C(S3)CCC(=O)N4CCOCC4)C(=NC2)C5=CC=CC=C5Cl`
InChIKey	`JGPJQFOROWSRRS-UHFFFAOYSA-N`

📖 Product Overview

Apafant (CAS: 105219-56-5) is a chemical compound with molecular formula C22H22ClN5O2S and molecular weight 456.0 g/mol. Its IUPAC systematic name is 3-[7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-4-yl]-1-morpholin-4-ylpropan-1-one. LogP 1.1 Topological Polar Surface Area 101.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 6 Rotatable Bonds 4 Exact Mass 455.1183 Heavy Atoms 31 Complexity 691.0 InChI Key: JGPJQFOROWSRRS-UHFFFAOYSA-N. SMILES: CC1=NN=C2N1C3=C(C=C(S3)CCC(=O)N4CCOCC4)C(=NC2)C5=CC=CC=C5Cl.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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Frequently Asked Questions

What is the typical lead time for this product?

Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.

Can you provide samples for testing?

Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.

What documentation do you provide with the product?

We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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