TL;DR: propanamide,n-(5-bromo-2-pyridinyl)- (CAS 148612-11-7) is a chemical compound with molecular formula C23H22N2S6 and molecular weight 518.01074 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4-[[4-ethylsulfanyl-5-(4-methylphenyl)-1,3-dithiol-2-ylidene]amino]phenyl]-4-methyl-5-methylsulfanyl-1,3-dithiol-2-imine
Also Known As: propanamide,n-(5-bromo-2-pyridinyl)-, NCI60_029052, N-[4-[(E)-[4-ethylsulfanyl-5-(p-tolyl)-1,3-dithiol-2-ylidene]amino]phenyl]-4-methyl-5-methylsulfanyl-1,3-dithiol-2-imine, N-[4-[[4-ethylsulfanyl-5-(4-methylphenyl)-1,3-dithiol-2-ylidene]amino]phenyl]-4-methyl-5-methylsulfanyl-1,3-dithiol-2-imine, N~1~-(4-(Ethylthio)-5-(4-methylphenyl)-1,3-dithiol-2-ylidene)-N~4~-(4-methyl-5-(methylthio)-1,3-dithiol-2-ylidene)-1,4-benzenediamine
| Molecular Formula | C23H22N2S6 |
| Molecular Weight | 518.01074 g/mol |
| XLogP | 8.7 |
| Topological Polar Surface Area (TPSA) | 177.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 518.01074 Da |
| Heavy Atoms | 31 |
| Complexity | 771.0 |
| SMILES | CCSC1=C(SC(=NC2=CC=C(C=C2)N=C3SC(=C(S3)SC)C)S1)C4=CC=C(C=C4)C |
| InChIKey | WNILRNLNRJSMSI-UHFFFAOYSA-N |
The XLogP value of 8.7 indicates that propanamide,n-(5-bromo-2-pyridinyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 177.0 Ų indicates high polarity, suggesting propanamide,n-(5-bromo-2-pyridinyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, propanamide,n-(5-bromo-2-pyridinyl)- has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of propanamide,n-(5-bromo-2-pyridinyl)- is 148612-11-7.
The molecular formula of propanamide,n-(5-bromo-2-pyridinyl)- is C23H22N2S6.
The molecular weight of propanamide,n-(5-bromo-2-pyridinyl)- is 518.01074 g/mol.
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