(4R,5R)-8-Fluoro-4,5-dihydrobenzo(a)pyrene-4,5-diol
TL;DR: (4R,5R)-8-Fluoro-4,5-dihydrobenzo(a)pyrene-4,5-diol (CAS 88054-30-2) 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.
(4R,5R)-8-fluoro-4,5-dihydrobenzo[a]pyrene-4,5-diol
Also Known As: (4R,5R)-8-Fluoro-4,5-dihydrobenzo(a)pyrene-4,5-diol, (4r,5r)-8-fluoro-4,5-dihydrobenzo[pqr]tetraphene-4,5-diol, (4R,5R)-8-fluoro-4,5-dihydrobenzo[a]pyrene-4,5-diol
| Molecular Formula | C20H13FO2 |
|---|---|
| Molecular Weight | 304.09 g/mol |
| LogP | 3.8 |
| 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 | 469.0 |
Chemical Identifiers
| CAS Number | 88054-30-2 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)[C@H]([C@@H](C4=C3C(=C5C=CC(=CC5=C4)F)C=C2)O)O |
| InChIKey | OJPZMIIQWSFMEA-WOJBJXKFSA-N |
Product Overview
(4R,5R)-8-Fluoro-4,5-dihydrobenzo(a)pyrene-4,5-diol (CAS 88054-30-2), with molecular formula C20H13FO2 and molecular weight 304.09 g/mol. IUPAC: (4R,5R)-8-fluoro-4,5-dihydrobenzo[a]pyrene-4,5-diol.
Chemical Property Profile of (4R,5R)-8-Fluoro-4,5-dihydrobenzo(a)pyrene-4,5-diol
Property Insights of (4R,5R)-8-Fluoro-4,5-dihydrobenzo(a)pyrene-4,5-diol
The XLogP value of 3.8 indicates that (4R,5R)-8-Fluoro-4,5-dihydrobenzo(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, (4R,5R)-8-Fluoro-4,5-dihydrobenzo(a)pyrene-4,5-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4R,5R)-8-Fluoro-4,5-dihydrobenzo(a)pyrene-4,5-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 (4R,5R)-8-Fluoro-4,5-dihydrobenzo(a)pyrene-4,5-diol?
The CAS number of (4R,5R)-8-Fluoro-4,5-dihydrobenzo(a)pyrene-4,5-diol is 88054-30-2.
What is the molecular formula of (4R,5R)-8-Fluoro-4,5-dihydrobenzo(a)pyrene-4,5-diol?
The molecular formula of (4R,5R)-8-Fluoro-4,5-dihydrobenzo(a)pyrene-4,5-diol is C20H13FO2.
What is the molecular weight of (4R,5R)-8-Fluoro-4,5-dihydrobenzo(a)pyrene-4,5-diol?
The molecular weight of (4R,5R)-8-Fluoro-4,5-dihydrobenzo(a)pyrene-4,5-diol is 304.09 g/mol.
Where can I buy (4R,5R)-8-Fluoro-4,5-dihydrobenzo(a)pyrene-4,5-diol?
You can request a quote for (4R,5R)-8-Fluoro-4,5-dihydrobenzo(a)pyrene-4,5-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4R,5R)-8-Fluoro-4,5-dihydrobenzo(a)pyrene-4,5-diol?
Yes, KEHONG BIO provides custom synthesis services for (4R,5R)-8-Fluoro-4,5-dihydrobenzo(a)pyrene-4,5-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.