Benz(a)anthracene-5,6-diol, 7-fluoro-5,6-dihydro-, trans-
TL;DR: Benz(a)anthracene-5,6-diol, 7-fluoro-5,6-dihydro-, trans- (CAS 82846-07-9) is a chemical compound with molecular formula C18H13FO2 and molecular weight 280.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S,6S)-7-fluoro-5,6-dihydrobenzo[a]anthracene-5,6-diol
Also Known As: 7-Fluoro-5,6-dihydrotetraphene-5,6-diol, (5s,6s)-7-fluoro-5,6-dihydrotetraphene-5,6-diol, Benz(a)anthracene-5,6-diol, 7-fluoro-5,6-dihydro-, trans-, (5S,6S)-7-fluoro-5,6-dihydrobenzo[a]anthracene-5,6-diol, 7-Fluoro-5,6-dihydrobenz(a)anthracene-5,6-diol (5R-trans)-
| Molecular Formula | C18H13FO2 |
|---|---|
| Molecular Weight | 280.09 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 280.08997 |
| Heavy Atoms | 21 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 82846-07-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C3C4=CC=CC=C4[C@@H]([C@H](C3=C2F)O)O |
| InChIKey | IINHRBKUQPQQOY-ROUUACIJSA-N |
Product Overview
Benz(a)anthracene-5,6-diol, 7-fluoro-5,6-dihydro-, trans- (CAS 82846-07-9), with molecular formula C18H13FO2 and molecular weight 280.09 g/mol. IUPAC: (5S,6S)-7-fluoro-5,6-dihydrobenzo[a]anthracene-5,6-diol.
Chemical Property Profile of Benz(a)anthracene-5,6-diol, 7-fluoro-5,6-dihydro-, trans-
Property Insights of Benz(a)anthracene-5,6-diol, 7-fluoro-5,6-dihydro-, trans-
The XLogP value of 3.0 indicates that Benz(a)anthracene-5,6-diol, 7-fluoro-5,6-dihydro-, 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, Benz(a)anthracene-5,6-diol, 7-fluoro-5,6-dihydro-, trans- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benz(a)anthracene-5,6-diol, 7-fluoro-5,6-dihydro-, 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 Benz(a)anthracene-5,6-diol, 7-fluoro-5,6-dihydro-, trans-?
The CAS number of Benz(a)anthracene-5,6-diol, 7-fluoro-5,6-dihydro-, trans- is 82846-07-9.
What is the molecular formula of Benz(a)anthracene-5,6-diol, 7-fluoro-5,6-dihydro-, trans-?
The molecular formula of Benz(a)anthracene-5,6-diol, 7-fluoro-5,6-dihydro-, trans- is C18H13FO2.
What is the molecular weight of Benz(a)anthracene-5,6-diol, 7-fluoro-5,6-dihydro-, trans-?
The molecular weight of Benz(a)anthracene-5,6-diol, 7-fluoro-5,6-dihydro-, trans- is 280.09 g/mol.
Where can I buy Benz(a)anthracene-5,6-diol, 7-fluoro-5,6-dihydro-, trans-?
You can request a quote for Benz(a)anthracene-5,6-diol, 7-fluoro-5,6-dihydro-, trans- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benz(a)anthracene-5,6-diol, 7-fluoro-5,6-dihydro-, trans-?
Yes, KEHONG BIO provides custom synthesis services for Benz(a)anthracene-5,6-diol, 7-fluoro-5,6-dihydro-, trans- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.