9-Fluoro-7,8-dihydrobenzo(a)pyrene-7,8-diol
TL;DR: 9-Fluoro-7,8-dihydrobenzo(a)pyrene-7,8-diol (CAS 83768-97-2) is a chemical compound with molecular formula C20H13FO2 and molecular weight 304.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-fluoro-7,8-dihydrobenzo[a]pyrene-7,8-diol
Also Known As: 9-Fluoro-7,8-dihydrobenzo(a)pyrene-7,8-diol, 9-fluoro-7,8-dihydrobenzo[a]pyrene-7,8-diol, Benzo(a)pyrene-7,8-diol, 9-fluoro-7,8-dihydro-, 9-Fluoro-7,8-dihydrobenzo[pqr]tetraphene-7,8-diol
| Molecular Formula | C20H13FO2 |
|---|---|
| Molecular Weight | 304.09 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 304.08997 |
| Heavy Atoms | 23 |
| Complexity | 518.0 |
Chemical Identifiers
| CAS Number | 83768-97-2 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C=C(C(C5O)O)F)C=C2 |
| InChIKey | FAFXVZYQFKXVDO-UHFFFAOYSA-N |
Product Overview
9-Fluoro-7,8-dihydrobenzo(a)pyrene-7,8-diol (CAS 83768-97-2), with molecular formula C20H13FO2 and molecular weight 304.09 g/mol. IUPAC: 9-fluoro-7,8-dihydrobenzo[a]pyrene-7,8-diol.
Chemical Property Profile of 9-Fluoro-7,8-dihydrobenzo(a)pyrene-7,8-diol
Property Insights of 9-Fluoro-7,8-dihydrobenzo(a)pyrene-7,8-diol
The XLogP value of 3.7 indicates that 9-Fluoro-7,8-dihydrobenzo(a)pyrene-7,8-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, 9-Fluoro-7,8-dihydrobenzo(a)pyrene-7,8-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Fluoro-7,8-dihydrobenzo(a)pyrene-7,8-diol has 2 hydrogen bond donor(s) and 3 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 9-Fluoro-7,8-dihydrobenzo(a)pyrene-7,8-diol?
The CAS number of 9-Fluoro-7,8-dihydrobenzo(a)pyrene-7,8-diol is 83768-97-2.
What is the molecular formula of 9-Fluoro-7,8-dihydrobenzo(a)pyrene-7,8-diol?
The molecular formula of 9-Fluoro-7,8-dihydrobenzo(a)pyrene-7,8-diol is C20H13FO2.
What is the molecular weight of 9-Fluoro-7,8-dihydrobenzo(a)pyrene-7,8-diol?
The molecular weight of 9-Fluoro-7,8-dihydrobenzo(a)pyrene-7,8-diol is 304.09 g/mol.
Where can I buy 9-Fluoro-7,8-dihydrobenzo(a)pyrene-7,8-diol?
You can request a quote for 9-Fluoro-7,8-dihydrobenzo(a)pyrene-7,8-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Fluoro-7,8-dihydrobenzo(a)pyrene-7,8-diol?
Yes, KEHONG BIO provides custom synthesis services for 9-Fluoro-7,8-dihydrobenzo(a)pyrene-7,8-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.