7,8,9,10-Tetrahydro-7,8,10-trihydroxybenzo(a)pyrene-9-sulfonic acid
TL;DR: 7,8,9,10-Tetrahydro-7,8,10-trihydroxybenzo(a)pyrene-9-sulfonic acid (CAS 118499-61-9) is a chemical compound with molecular formula C20H16O6S and molecular weight 384.06677 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7,8,10-trihydroxy-7,8,9,10-tetrahydrobenzo[a]pyrene-9-sulfonic acid
Also Known As: 7,8,9,10-Tetrahydro-7,8,10-trihydroxybenzo(a)pyrene-9-sulfonic acid, Imidazol-1-yl-acetic Acid-15N2,13C2, 7,8,10-trihydroxy-7,8,9,10-tetrahydrobenzo[a]pyrene-9-sulfonic acid, (+/-)-7,8,10-Trihydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene-9-sulfonate, Benzo[a]pyrene-9-sulfonicacid, 7,8,9,10-tetrahydro-7,8,10-trihydroxy- (9CI)
Technical Specifications
| Molecular Formula | C20H16O6S |
| Molecular Weight | 384.06677 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 384.06677 Da |
| Heavy Atoms | 27 |
| Complexity | 689.0 |
| SMILES | C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C(C(C(C5O)O)S(=O)(=O)O)O)C=C2 |
| InChIKey | HUKBLXWCSKZXPO-UHFFFAOYSA-N |
Chemical Property Profile of 7,8,9,10-Tetrahydro-7,8,10-trihydroxybenzo(a)pyrene-9-sulfonic acid
Property Insights of 7,8,9,10-Tetrahydro-7,8,10-trihydroxybenzo(a)pyrene-9-sulfonic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7,8,9,10-Tetrahydro-7,8,10-trihydroxybenzo(a)pyrene-9-sulfonic acid. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7,8,9,10-Tetrahydro-7,8,10-trihydroxybenzo(a)pyrene-9-sulfonic acid. Following Lipinski's Rule of Five, 7,8,9,10-Tetrahydro-7,8,10-trihydroxybenzo(a)pyrene-9-sulfonic acid has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 7,8,9,10-Tetrahydro-7,8,10-trihydroxybenzo(a)pyrene-9-sulfonic acid?
The CAS number of 7,8,9,10-Tetrahydro-7,8,10-trihydroxybenzo(a)pyrene-9-sulfonic acid is 118499-61-9.
What is the molecular formula of 7,8,9,10-Tetrahydro-7,8,10-trihydroxybenzo(a)pyrene-9-sulfonic acid?
The molecular formula of 7,8,9,10-Tetrahydro-7,8,10-trihydroxybenzo(a)pyrene-9-sulfonic acid is C20H16O6S.
What is the molecular weight of 7,8,9,10-Tetrahydro-7,8,10-trihydroxybenzo(a)pyrene-9-sulfonic acid?
The molecular weight of 7,8,9,10-Tetrahydro-7,8,10-trihydroxybenzo(a)pyrene-9-sulfonic acid is 384.06677 g/mol.
Where can I buy 7,8,9,10-Tetrahydro-7,8,10-trihydroxybenzo(a)pyrene-9-sulfonic acid?
You can request a quote for 7,8,9,10-Tetrahydro-7,8,10-trihydroxybenzo(a)pyrene-9-sulfonic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7,8,9,10-Tetrahydro-7,8,10-trihydroxybenzo(a)pyrene-9-sulfonic acid?
Yes, CoreyChem provides custom synthesis services for 7,8,9,10-Tetrahydro-7,8,10-trihydroxybenzo(a)pyrene-9-sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.