TL;DR: T6OZDY44V0 (CAS 66217-02-5) is a chemical compound with molecular formula C31H22N4O12S3 and molecular weight 738.0396 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-hydroxy-7-[(5-hydroxy-7-sulfonaphthalen-2-yl)carbamoylamino]-3-[(6-sulfonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonic acid
Also Known As: 4-Hydroxy-7-((((5-hydroxy-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-3-(2-(6-sulfo-2-naphthalenyl)diazenyl)-2-naphthalenesulfonic acid, 2-Naphthalenesulfonic acid, 4-hydroxy-7-((((5-hydroxy-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-3-((6-sulfo-2-naphthalenyl)azo)-, 2-Naphthalenesulfonic acid, 4-hydroxy-7-((((5-hydroxy-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-3-(2-(6-sulfo-2-naphthalenyl)diazenyl)-, 4-Hydroxy-7-[[[(5-hydroxy-7-sulfo-2-naphthalenyl)amino]carbonyl]amino]-3-[(6-sulfo-2-naphthalenyl)azo]-2-naphthalenesulfonic acid, 4-hydroxy-7-{[(5-hydroxy-7-sulfonaphthalen-2-yl)carbamoyl]amino}-3-[2-(6-sulfonaphthalen-2-yl)diazen-1-yl]naphthalene-2-sulfonic acid
| Molecular Formula | C31H22N4O12S3 |
| Molecular Weight | 738.0396 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 295.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 738.0396 Da |
| Heavy Atoms | 50 |
| Complexity | 1590.0 |
| SMILES | C1=CC2=C(C=C(C=C2C=C1NC(=O)NC3=CC4=CC(=C(C(=C4C=C3)O)N=NC5=CC6=C(C=C5)C=C(C=C6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O |
| InChIKey | HIVSSNOQZTVJKW-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that T6OZDY44V0 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 295.0 Ų indicates high polarity, suggesting T6OZDY44V0 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, T6OZDY44V0 has 7 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of T6OZDY44V0 is 66217-02-5.
The molecular formula of T6OZDY44V0 is C31H22N4O12S3.
The molecular weight of T6OZDY44V0 is 738.0396 g/mol.
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