TL;DR: N,N,N',N'-Tetrabenzyl-4,4'-diaminostilbene-2,2'-disulfonate (CAS 138847-94-6) is a chemical compound with molecular formula C42H38N2O6S2 and molecular weight 730.2171 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(dibenzylamino)-2-[2-[4-(dibenzylamino)-2-sulfophenyl]ethenyl]benzenesulfonic acid
Also Known As: N,N,N',N'-Tetrabenzyl-4,4'-diaminostilbene-2,2'-disulfonate
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C42H38N2O6S2 |
| Molecular Weight | 730.2171 g/mol |
| XLogP | 7.9 |
| Topological Polar Surface Area (TPSA) | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 730.2171 Da |
| Heavy Atoms | 52 |
| Complexity | 1160.0 |
| SMILES | C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)N(CC5=CC=CC=C5)CC6=CC=CC=C6)S(=O)(=O)O)S(=O)(=O)O |
| InChIKey | JYLFWCNMUQMLNW-UHFFFAOYSA-N |
The XLogP value of 7.9 indicates that N,N,N',N'-Tetrabenzyl-4,4'-diaminostilbene-2,2'-disulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N,N',N'-Tetrabenzyl-4,4'-diaminostilbene-2,2'-disulfonate. Following Lipinski's Rule of Five, N,N,N',N'-Tetrabenzyl-4,4'-diaminostilbene-2,2'-disulfonate has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N,N,N',N'-Tetrabenzyl-4,4'-diaminostilbene-2,2'-disulfonate is 138847-94-6.
The molecular formula of N,N,N',N'-Tetrabenzyl-4,4'-diaminostilbene-2,2'-disulfonate is C42H38N2O6S2.
The molecular weight of N,N,N',N'-Tetrabenzyl-4,4'-diaminostilbene-2,2'-disulfonate is 730.2171 g/mol.
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