TL;DR: N,N'-Bis(4-(9-acridinylamino)-3-methoxyphenyl)-1,4-butanedisulfonamide (CAS 66725-18-6) is a chemical compound with molecular formula C44H40N6O6S2 and molecular weight 812.24506 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N'-bis[4-(acridin-9-ylamino)-3-methoxyphenyl]butane-1,4-disulfonamide
Also Known As: 5-22-11-00031 (Beilstein Handbook Reference), 1,4-BUTANEDISULFON-m-ANISIDIDE, 4',4''-BIS(9-ACRIDINYLAMINO)-, 4',4''-Bis(9-acridinylamino)-1,4-butanedisulfon-m-anisidide, N,N'-Bis(4-(9-acridinylamino)-3-methoxyphenyl)-1,4-butanedisulfonamide, N,N -Bis[4-(9-acridinylamino)-3-methoxyphenyl]-1,4-butanedisulfonamide
| Molecular Formula | C44H40N6O6S2 |
| Molecular Weight | 812.24506 g/mol |
| XLogP | 8.5 |
| Topological Polar Surface Area (TPSA) | 177.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 15 |
| Exact Mass | 812.24506 Da |
| Heavy Atoms | 58 |
| Complexity | 1370.0 |
| SMILES | COC1=C(C=CC(=C1)NS(=O)(=O)CCCCS(=O)(=O)NC2=CC(=C(C=C2)NC3=C4C=CC=CC4=NC5=CC=CC=C53)OC)NC6=C7C=CC=CC7=NC8=CC=CC=C86 |
| InChIKey | SJIPVTVPMMWEEW-UHFFFAOYSA-N |
The XLogP value of 8.5 indicates that N,N'-Bis(4-(9-acridinylamino)-3-methoxyphenyl)-1,4-butanedisulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 177.0 Ų indicates high polarity, suggesting N,N'-Bis(4-(9-acridinylamino)-3-methoxyphenyl)-1,4-butanedisulfonamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N,N'-Bis(4-(9-acridinylamino)-3-methoxyphenyl)-1,4-butanedisulfonamide has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N,N'-Bis(4-(9-acridinylamino)-3-methoxyphenyl)-1,4-butanedisulfonamide is 66725-18-6.
The molecular formula of N,N'-Bis(4-(9-acridinylamino)-3-methoxyphenyl)-1,4-butanedisulfonamide is C44H40N6O6S2.
The molecular weight of N,N'-Bis(4-(9-acridinylamino)-3-methoxyphenyl)-1,4-butanedisulfonamide is 812.24506 g/mol.
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