trans-Benzo(j)fluoranthene-9,10-diol
TL;DR: trans-Benzo(j)fluoranthene-9,10-diol (CAS 76479-14-6) is a chemical compound with molecular formula C20H14O2 and molecular weight 286.09937 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6S,7S)-pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3(8),4,9,12,14,16(20),17-nonaene-6,7-diol
Also Known As: trans-Benzo(j)fluoranthene-9,10-diol, KST-1A8330, (9s,10s)-9,10-dihydrobenzo[j]fluoranthene-9,10-diol, trans-9,10-Dihydrobenzo(j)fluoranthene-9,10-diol, Benzo(j)fluoranthene-9,10-diol, 9,10-dihydro-, trans-
Technical Specifications
| Molecular Formula | C20H14O2 |
| Molecular Weight | 286.09937 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 286.09937 Da |
| Heavy Atoms | 22 |
| Complexity | 472.0 |
| SMILES | C1=CC2=C3C(=C1)C4=C(C3=CC=C2)C5=C(C=C4)[C@@H]([C@H](C=C5)O)O |
| InChIKey | LTGGAYWYOQVIEE-PXNSSMCTSA-N |
Chemical Property Profile of trans-Benzo(j)fluoranthene-9,10-diol
Property Insights of trans-Benzo(j)fluoranthene-9,10-diol
The XLogP value of 3.4 indicates that trans-Benzo(j)fluoranthene-9,10-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, trans-Benzo(j)fluoranthene-9,10-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-Benzo(j)fluoranthene-9,10-diol has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of trans-Benzo(j)fluoranthene-9,10-diol?
The CAS number of trans-Benzo(j)fluoranthene-9,10-diol is 76479-14-6.
What is the molecular formula of trans-Benzo(j)fluoranthene-9,10-diol?
The molecular formula of trans-Benzo(j)fluoranthene-9,10-diol is C20H14O2.
What is the molecular weight of trans-Benzo(j)fluoranthene-9,10-diol?
The molecular weight of trans-Benzo(j)fluoranthene-9,10-diol is 286.09937 g/mol.
Where can I buy trans-Benzo(j)fluoranthene-9,10-diol?
You can request a quote for trans-Benzo(j)fluoranthene-9,10-diol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for trans-Benzo(j)fluoranthene-9,10-diol?
Yes, CoreyChem provides custom synthesis services for trans-Benzo(j)fluoranthene-9,10-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.