Benzo(a)pyrene-7,8-diol, 6-fluoro-7,8-dihydro-, (7R-trans)-
TL;DR: Benzo(a)pyrene-7,8-diol, 6-fluoro-7,8-dihydro-, (7R-trans)- (CAS 85552-36-9) 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.
(7R,8R)-6-fluoro-7,8-dihydrobenzo[a]pyrene-7,8-diol
Also Known As: Benzo(a)pyrene-7,8-diol, 6-fluoro-7,8-dihydro-, (7R-trans)-, J1.108.061H, (7R-trans)-6-Fluoro-7,8-dihydrobenzo(a)pyrene-7,8-diol, 6-Fluoro-7,8-dihydrobenzo(a)pyrene-7,8-diol (7R-trans)-, (7R,8R)-6-fluoro-7,8-dihydrobenzo[a]pyrene-7,8-diol
| Molecular Formula | C20H13FO2 |
|---|---|
| Molecular Weight | 304.09 g/mol |
| LogP | 4.0 |
| 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 | 506.0 |
Chemical Identifiers
| CAS Number | 85552-36-9 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C=CC4=C3C(=C5C=C[C@H]([C@@H](C5=C4F)O)O)C=C2 |
| InChIKey | KBGUEKKHFJQKTP-QRWLVFNGSA-N |
Product Overview
Benzo(a)pyrene-7,8-diol, 6-fluoro-7,8-dihydro-, (7R-trans)- (CAS 85552-36-9), with molecular formula C20H13FO2 and molecular weight 304.09 g/mol. IUPAC: (7R,8R)-6-fluoro-7,8-dihydrobenzo[a]pyrene-7,8-diol.
Chemical Property Profile of Benzo(a)pyrene-7,8-diol, 6-fluoro-7,8-dihydro-, (7R-trans)-
Property Insights of Benzo(a)pyrene-7,8-diol, 6-fluoro-7,8-dihydro-, (7R-trans)-
The XLogP value of 4.0 indicates that Benzo(a)pyrene-7,8-diol, 6-fluoro-7,8-dihydro-, (7R-trans)- 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-7,8-diol, 6-fluoro-7,8-dihydro-, (7R-trans)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(a)pyrene-7,8-diol, 6-fluoro-7,8-dihydro-, (7R-trans)- 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 Benzo(a)pyrene-7,8-diol, 6-fluoro-7,8-dihydro-, (7R-trans)-?
The CAS number of Benzo(a)pyrene-7,8-diol, 6-fluoro-7,8-dihydro-, (7R-trans)- is 85552-36-9.
What is the molecular formula of Benzo(a)pyrene-7,8-diol, 6-fluoro-7,8-dihydro-, (7R-trans)-?
The molecular formula of Benzo(a)pyrene-7,8-diol, 6-fluoro-7,8-dihydro-, (7R-trans)- is C20H13FO2.
What is the molecular weight of Benzo(a)pyrene-7,8-diol, 6-fluoro-7,8-dihydro-, (7R-trans)-?
The molecular weight of Benzo(a)pyrene-7,8-diol, 6-fluoro-7,8-dihydro-, (7R-trans)- is 304.09 g/mol.
Where can I buy Benzo(a)pyrene-7,8-diol, 6-fluoro-7,8-dihydro-, (7R-trans)-?
You can request a quote for Benzo(a)pyrene-7,8-diol, 6-fluoro-7,8-dihydro-, (7R-trans)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(a)pyrene-7,8-diol, 6-fluoro-7,8-dihydro-, (7R-trans)-?
Yes, KEHONG BIO provides custom synthesis services for Benzo(a)pyrene-7,8-diol, 6-fluoro-7,8-dihydro-, (7R-trans)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.