7,8,9-Trihydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene-10-sulfonate
TL;DR: 7,8,9-Trihydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene-10-sulfonate (CAS 124443-16-9) is a chemical compound with molecular formula C20H16O6S and molecular weight 384.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7R,8S,9S,10S)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[a]pyrene-10-sulfonic acid
Also Known As: 7,8,9-Trihydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene-10-sulfonate, (7R,8S,9S,10S)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[a]pyrene-10-sulfonic acid, Benzo(a)pyrene-10-sulfonic acid, 7,8,9,10-tetrahydro-7,8,9-trihydroxy-, (7alpha,8beta,9beta,10alpha)-, (+-)-, (7alpha,8beta,9beta,10alpha)-7,8,9,10-Tetrahydro-7,8,9-trihydroxybenzo(a)pyrene-10-sulfonic acid, Benzo(a)pyrene-10-sulfonic acid, 7,8,9,10-tetrahydro-7,8,9-trihydroxy- , (7alpha,8beta,9beta,10alpha
| Molecular Formula | C20H16O6S |
|---|---|
| Molecular Weight | 384.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 384.06677 |
| Heavy Atoms | 27 |
| Complexity | 689.0 |
Chemical Identifiers
| CAS Number | 124443-16-9 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4[C@@H]([C@H]([C@H]([C@@H]5O)O)O)S(=O)(=O)O)C=C2 |
| InChIKey | GTWWVQRQJNLCLW-FYQPLNBISA-N |
Product Overview
7,8,9-Trihydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene-10-sulfonate (CAS 124443-16-9), with molecular formula C20H16O6S and molecular weight 384.07 g/mol. IUPAC: (7R,8S,9S,10S)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[a]pyrene-10-sulfonic acid.
Chemical Property Profile of 7,8,9-Trihydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene-10-sulfonate
Property Insights of 7,8,9-Trihydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene-10-sulfonate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7,8,9-Trihydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene-10-sulfonate. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7,8,9-Trihydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene-10-sulfonate. Following Lipinski's Rule of Five, 7,8,9-Trihydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene-10-sulfonate 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
Frequently Asked Questions
What is the CAS number of 7,8,9-Trihydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene-10-sulfonate?
The CAS number of 7,8,9-Trihydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene-10-sulfonate is 124443-16-9.
What is the molecular formula of 7,8,9-Trihydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene-10-sulfonate?
The molecular formula of 7,8,9-Trihydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene-10-sulfonate is C20H16O6S.
What is the molecular weight of 7,8,9-Trihydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene-10-sulfonate?
The molecular weight of 7,8,9-Trihydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene-10-sulfonate is 384.07 g/mol.
Where can I buy 7,8,9-Trihydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene-10-sulfonate?
You can request a quote for 7,8,9-Trihydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene-10-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,8,9-Trihydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene-10-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 7,8,9-Trihydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene-10-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.