4,5-Dihydroxy-4,5-dihydrobenzo(e)pyrene
TL;DR: 4,5-Dihydroxy-4,5-dihydrobenzo(e)pyrene (CAS 24961-49-7) is a chemical compound with molecular formula C20H14O2 and molecular weight 286.09937 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6,7-dihydrobenzo[e]pyrene-6,7-diol
Also Known As: B(e)P 4,5-dihydrodiol, Benzo(e)pyrene-4,5-dihydrodiol, 4,5-Dihydroxy-4,5-dihydrobenzo(e)pyrene, 6,7-dihydrobenzo[e]pyrene-6,7-diol, 2,3-dihydrobenzo[e]pyrene-2,3-diol
Technical Specifications
| Molecular Formula | C20H14O2 |
| Molecular Weight | 286.09937 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 286.09937 Da |
| Heavy Atoms | 22 |
| Complexity | 484.0 |
| SMILES | C1=CC=C2C(=C1)C3=CC=CC4=C3C5=C(C=C4)C(C(C=C25)O)O |
| InChIKey | JQJASLZAAVCRIQ-UHFFFAOYSA-N |
Chemical Property Profile of 4,5-Dihydroxy-4,5-dihydrobenzo(e)pyrene
Property Insights of 4,5-Dihydroxy-4,5-dihydrobenzo(e)pyrene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dihydroxy-4,5-dihydrobenzo(e)pyrene. With a topological polar surface area (TPSA) of 40.5 Ų, 4,5-Dihydroxy-4,5-dihydrobenzo(e)pyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dihydroxy-4,5-dihydrobenzo(e)pyrene has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4,5-Dihydroxy-4,5-dihydrobenzo(e)pyrene?
The CAS number of 4,5-Dihydroxy-4,5-dihydrobenzo(e)pyrene is 24961-49-7.
What is the molecular formula of 4,5-Dihydroxy-4,5-dihydrobenzo(e)pyrene?
The molecular formula of 4,5-Dihydroxy-4,5-dihydrobenzo(e)pyrene is C20H14O2.
What is the molecular weight of 4,5-Dihydroxy-4,5-dihydrobenzo(e)pyrene?
The molecular weight of 4,5-Dihydroxy-4,5-dihydrobenzo(e)pyrene is 286.09937 g/mol.
Where can I buy 4,5-Dihydroxy-4,5-dihydrobenzo(e)pyrene?
You can request a quote for 4,5-Dihydroxy-4,5-dihydrobenzo(e)pyrene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,5-Dihydroxy-4,5-dihydrobenzo(e)pyrene?
Yes, CoreyChem provides custom synthesis services for 4,5-Dihydroxy-4,5-dihydrobenzo(e)pyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.