TL;DR: 2,2-dithiobis(1-methyl-N-phenyl-1H-indole-3-carboxamide) (CAS 156135-84-1) is a chemical compound with molecular formula C32H26N4O2S2 and molecular weight 562.1497 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methyl-2-[[1-methyl-3-(phenylcarbamoyl)indol-2-yl]disulfanyl]-N-phenylindole-3-carboxamide
Also Known As: Dtb-mpica, 2,2-Dithiobis(1-methyl-N-phenyl-1H-indole-3-carboxamide), dithiobis(1H-indole-3-carboxamide) deriv. 10a, 1H-Indole-3-carboxamide, 2,2'-dithiobis(1-methyl-N-phenyl-, 2,2'-disulfanediylbis(1-methyl-N-phenyl-1H-indole-3-carboxamide)
| Molecular Formula | C32H26N4O2S2 |
| Molecular Weight | 562.1497 g/mol |
| XLogP | 6.5 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 562.1497 Da |
| Heavy Atoms | 40 |
| Complexity | 809.0 |
| SMILES | CN1C2=CC=CC=C2C(=C1SSC3=C(C4=CC=CC=C4N3C)C(=O)NC5=CC=CC=C5)C(=O)NC6=CC=CC=C6 |
| InChIKey | PRTBWEHHMHBKER-UHFFFAOYSA-N |
The XLogP value of 6.5 indicates that 2,2-dithiobis(1-methyl-N-phenyl-1H-indole-3-carboxamide) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-dithiobis(1-methyl-N-phenyl-1H-indole-3-carboxamide). Following Lipinski's Rule of Five, 2,2-dithiobis(1-methyl-N-phenyl-1H-indole-3-carboxamide) has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2,2-dithiobis(1-methyl-N-phenyl-1H-indole-3-carboxamide) is 156135-84-1.
The molecular formula of 2,2-dithiobis(1-methyl-N-phenyl-1H-indole-3-carboxamide) is C32H26N4O2S2.
The molecular weight of 2,2-dithiobis(1-methyl-N-phenyl-1H-indole-3-carboxamide) is 562.1497 g/mol.
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