TL;DR: D&C Green No. 8 free acid (CAS 27928-00-3) is a chemical compound with molecular formula C16H10O10S3 and molecular weight 457.9436 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-hydroxypyrene-1,3,6-trisulfonic acid
Also Known As: Pyranine, Pyranine free acid, 8-Hydroxypyrene-1,3,6-trisulfonic acid, D&C Green No. 8 free acid, Pyranine concentrated
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C16H10O10S3 |
| Molecular Weight | 457.9436 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 208.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 457.9436 Da |
| Heavy Atoms | 29 |
| Complexity | 971.0 |
| SMILES | C1=CC2=C3C(=C(C=C2S(=O)(=O)O)S(=O)(=O)O)C=CC4=C(C=C(C1=C43)O)S(=O)(=O)O |
| InChIKey | OBJOZRVSMLPASY-UHFFFAOYSA-N |
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for D&C Green No. 8 free acid. The TPSA of 208.0 Ų indicates high polarity, suggesting D&C Green No. 8 free acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, D&C Green No. 8 free acid has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of D&C Green No. 8 free acid is 27928-00-3.
The molecular formula of D&C Green No. 8 free acid is C16H10O10S3.
The molecular weight of D&C Green No. 8 free acid is 457.9436 g/mol.
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