Benzo(a)pyrene-4,5-diol
TL;DR: Benzo(a)pyrene-4,5-diol (CAS 57304-00-4) is a chemical compound with molecular formula C20H12O2 and molecular weight 284.08374 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzo[a]pyrene-4,5-diol
Also Known As: Benzo(a)pyrene-4,5-diol, Benzo[a]pyrene-4,5-diol, 4,5-Dihydroxybenzo(a)pyrene, 4,5-Dihydroxybenzo[a]pyrene, benzo[a]pyrene 4,5-diol
Technical Specifications
| Molecular Formula | C20H12O2 |
| Molecular Weight | 284.08374 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 284.08374 Da |
| Heavy Atoms | 22 |
| Complexity | 435.0 |
| SMILES | C1=CC=C2C3=C4C(=CC2=C1)C(=C(C5=CC=CC(=C54)C=C3)O)O |
| InChIKey | AFDHSXYOTGMEAP-UHFFFAOYSA-N |
Chemical Property Profile of Benzo(a)pyrene-4,5-diol
Property Insights of Benzo(a)pyrene-4,5-diol
The XLogP value of 5.6 indicates that Benzo(a)pyrene-4,5-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, Benzo(a)pyrene-4,5-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(a)pyrene-4,5-diol has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Benzo(a)pyrene-4,5-diol?
The CAS number of Benzo(a)pyrene-4,5-diol is 57304-00-4.
What is the molecular formula of Benzo(a)pyrene-4,5-diol?
The molecular formula of Benzo(a)pyrene-4,5-diol is C20H12O2.
What is the molecular weight of Benzo(a)pyrene-4,5-diol?
The molecular weight of Benzo(a)pyrene-4,5-diol is 284.08374 g/mol.
Where can I buy Benzo(a)pyrene-4,5-diol?
You can request a quote for Benzo(a)pyrene-4,5-diol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzo(a)pyrene-4,5-diol?
Yes, CoreyChem provides custom synthesis services for Benzo(a)pyrene-4,5-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.