trans-Dibenz(a,h)anthracene-3,4-dihydrodiol
TL;DR: trans-Dibenz(a,h)anthracene-3,4-dihydrodiol (CAS 66267-19-4) 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.
(3R,4R)-3,4-dihydronaphtho[1,2-b]phenanthrene-3,4-diol
Also Known As: trans-Dba-3,4-dihydrodiol, Dibenz(a,h)anthracene-3,4-diol, trans-Dibenz(a,h)anthracene-3,4-dihydrodiol, (+/-)-trans-3,4-Dihydro-dibenz(a,h)anthracene, trans-3,4-Dihydro-3,4-dihydroxydibenz(a,h)anthracene
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=C2C=C4C=CC5=C(C4=C3)C=C[C@H]([C@@H]5O)O |
| InChIKey | DKAAILWGWGVYES-FGZHOGPDSA-N |
Chemical Property Profile of trans-Dibenz(a,h)anthracene-3,4-dihydrodiol
Property Insights of trans-Dibenz(a,h)anthracene-3,4-dihydrodiol
The XLogP value of 4.5 indicates that trans-Dibenz(a,h)anthracene-3,4-dihydrodiol 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-Dibenz(a,h)anthracene-3,4-dihydrodiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-Dibenz(a,h)anthracene-3,4-dihydrodiol 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-Dibenz(a,h)anthracene-3,4-dihydrodiol?
The CAS number of trans-Dibenz(a,h)anthracene-3,4-dihydrodiol is 66267-19-4.
What is the molecular formula of trans-Dibenz(a,h)anthracene-3,4-dihydrodiol?
The molecular formula of trans-Dibenz(a,h)anthracene-3,4-dihydrodiol is C22H16O2.
What is the molecular weight of trans-Dibenz(a,h)anthracene-3,4-dihydrodiol?
The molecular weight of trans-Dibenz(a,h)anthracene-3,4-dihydrodiol is 312.11502 g/mol.
Where can I buy trans-Dibenz(a,h)anthracene-3,4-dihydrodiol?
You can request a quote for trans-Dibenz(a,h)anthracene-3,4-dihydrodiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for trans-Dibenz(a,h)anthracene-3,4-dihydrodiol?
Yes, CoreyChem provides custom synthesis services for trans-Dibenz(a,h)anthracene-3,4-dihydrodiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.