3,4-Dihydrodioldibenz(a,j)anthracene
TL;DR: 3,4-Dihydrodioldibenz(a,j)anthracene (CAS 114326-33-9) is a chemical compound with molecular formula C22H16O2 and molecular weight 312.11502 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(7S,8S)-pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,10,13,15,17,19,21-decaene-7,8-diol
Also Known As: 3,4-Ddda, DB[a,j]A-3,4-diol, 3,4-Dihydrodihydroxydibenz(a,j)anthracene, 3,4-Dihydrodioldibenz(a,j)anthracene, Dibenz(a,j)anthracene-3,4-dihydrodiol
Technical Specifications
| Molecular Formula | C22H16O2 |
| Molecular Weight | 312.11502 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 312.11502 Da |
| Heavy Atoms | 24 |
| Complexity | 500.0 |
| SMILES | C1=CC=C2C(=C1)C=CC3=CC4=C(C=C32)C5=C(C=C4)[C@@H]([C@H](C=C5)O)O |
| InChIKey | FQBLNMVYPJPBRV-VXKWHMMOSA-N |
Chemical Property Profile of 3,4-Dihydrodioldibenz(a,j)anthracene
Property Insights of 3,4-Dihydrodioldibenz(a,j)anthracene
The XLogP value of 4.5 indicates that 3,4-Dihydrodioldibenz(a,j)anthracene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 3,4-Dihydrodioldibenz(a,j)anthracene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dihydrodioldibenz(a,j)anthracene 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 3,4-Dihydrodioldibenz(a,j)anthracene?
The CAS number of 3,4-Dihydrodioldibenz(a,j)anthracene is 114326-33-9.
What is the molecular formula of 3,4-Dihydrodioldibenz(a,j)anthracene?
The molecular formula of 3,4-Dihydrodioldibenz(a,j)anthracene is C22H16O2.
What is the molecular weight of 3,4-Dihydrodioldibenz(a,j)anthracene?
The molecular weight of 3,4-Dihydrodioldibenz(a,j)anthracene is 312.11502 g/mol.
Where can I buy 3,4-Dihydrodioldibenz(a,j)anthracene?
You can request a quote for 3,4-Dihydrodioldibenz(a,j)anthracene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,4-Dihydrodioldibenz(a,j)anthracene?
Yes, CoreyChem provides custom synthesis services for 3,4-Dihydrodioldibenz(a,j)anthracene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.