trans-Benzo(j)fluoranthene-4,5-diol
TL;DR: trans-Benzo(j)fluoranthene-4,5-diol (CAS 116610-92-5) 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.
(17S,18S)-pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12(20),13,15-nonaene-17,18-diol
Also Known As: trans-Benzo(j)fluoranthene-4,5-diol, KST-1A0754, trans-Benzo(j)fluoranthene-4,5-dihydrodiol, (2s,3s)-2,3-dihydrobenzo[j]fluoranthene-2,3-diol, trans-4,5-Dihydro-benzo(J)fluoranthene-4,5-diol
Technical Specifications
| Molecular Formula | C20H14O2 |
| Molecular Weight | 286.09937 g/mol |
| XLogP | 2.9 |
| 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 | 484.0 |
| SMILES | C1=CC=C2C(=C1)C=CC3=C2C4=C[C@@H]([C@H](C5=CC=CC3=C54)O)O |
| InChIKey | SYMJVOYQEAGAQI-PXNSSMCTSA-N |
Chemical Property Profile of trans-Benzo(j)fluoranthene-4,5-diol
Property Insights of trans-Benzo(j)fluoranthene-4,5-diol
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-Benzo(j)fluoranthene-4,5-diol. With a topological polar surface area (TPSA) of 40.5 Ų, trans-Benzo(j)fluoranthene-4,5-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-Benzo(j)fluoranthene-4,5-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-4,5-diol?
The CAS number of trans-Benzo(j)fluoranthene-4,5-diol is 116610-92-5.
What is the molecular formula of trans-Benzo(j)fluoranthene-4,5-diol?
The molecular formula of trans-Benzo(j)fluoranthene-4,5-diol is C20H14O2.
What is the molecular weight of trans-Benzo(j)fluoranthene-4,5-diol?
The molecular weight of trans-Benzo(j)fluoranthene-4,5-diol is 286.09937 g/mol.
Where can I buy trans-Benzo(j)fluoranthene-4,5-diol?
You can request a quote for trans-Benzo(j)fluoranthene-4,5-diol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for trans-Benzo(j)fluoranthene-4,5-diol?
Yes, CoreyChem provides custom synthesis services for trans-Benzo(j)fluoranthene-4,5-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.