TL;DR: N-4-Nitrobenzyl-5-(4-carboxyphenyl)-10,15,20-tris(4-sulfophenyl)porphine (CAS 125295-40-1) is a chemical compound with molecular formula C52H35N5O13S3 and molecular weight 1033.1394 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[23-[(4-nitrophenyl)methyl]-10,15,20-tris(4-sulfophenyl)-21H-porphyrin-5-yl]benzoic acid
Also Known As: N-Bzhcs3P, N-4-Nitrobenzyl-5-(4-carboxyphenyl)-10,15,20-tris(4-sulfophenyl)porphine, 4-[23-[(4-nitrophenyl)methyl]-10,15,20-tris(4-sulfophenyl)-21H-porphyrin-5-yl]benzoic acid, Benzoic acid, 4-(23-((4-nitrophenyl)methyl)-10,15,20-tris(4-sulfophenyl)-21H,23H-porphin-5-yl)-
| Molecular Formula | C52H35N5O13S3 |
| Molecular Weight | 1033.1394 g/mol |
| XLogP | 7.6 |
| Topological Polar Surface Area (TPSA) | 318.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 10 |
| Exact Mass | 1033.1394 Da |
| Heavy Atoms | 73 |
| Complexity | 2250.0 |
| SMILES | C1=CC(=CC=C1CN2C3=CC=C2C(=C4C=CC(=N4)C(=C5C=CC(=C(C6=NC(=C3C7=CC=C(C=C7)S(=O)(=O)O)C=C6)C8=CC=C(C=C8)C(=O)O)N5)C9=CC=C(C=C9)S(=O)(=O)O)C1=CC=C(C=C1)S(=O)(=O)O)[N+](=O)[O-] |
| InChIKey | MRGVHHUEFCTLKB-UHFFFAOYSA-N |
The XLogP value of 7.6 indicates that N-4-Nitrobenzyl-5-(4-carboxyphenyl)-10,15,20-tris(4-sulfophenyl)porphine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 318.0 Ų indicates high polarity, suggesting N-4-Nitrobenzyl-5-(4-carboxyphenyl)-10,15,20-tris(4-sulfophenyl)porphine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-4-Nitrobenzyl-5-(4-carboxyphenyl)-10,15,20-tris(4-sulfophenyl)porphine has 5 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-4-Nitrobenzyl-5-(4-carboxyphenyl)-10,15,20-tris(4-sulfophenyl)porphine is 125295-40-1.
The molecular formula of N-4-Nitrobenzyl-5-(4-carboxyphenyl)-10,15,20-tris(4-sulfophenyl)porphine is C52H35N5O13S3.
The molecular weight of N-4-Nitrobenzyl-5-(4-carboxyphenyl)-10,15,20-tris(4-sulfophenyl)porphine is 1033.1394 g/mol.
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