12,13-Dihydro-12,13-dihydroxydibenzo(a,e)fluoranthene
TL;DR: 12,13-Dihydro-12,13-dihydroxydibenzo(a,e)fluoranthene (CAS 84573-28-4) is a chemical compound with molecular formula C24H16O2 and molecular weight 336.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexacyclo[14.7.1.02,7.08,24.09,14.017,22]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17(22),20-undecaene-18,19-diol
Also Known As: 12,13-Dbfadd, Dibenzo(a,e)fluoranthene-12,13-dihydrodiol, Dibenz(a,e)aceanthrylene-12,13-diol, 12,13-dihydro, 12,13-Dihydro-12,13-dihydroxydibenzo(a,e)fluoranthene, 12,13-dihydro-12,13-dihydroxydibenzo fluoranthene
| Molecular Formula | C24H16O2 |
|---|---|
| Molecular Weight | 336.12 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 336.11502 |
| Heavy Atoms | 26 |
| Complexity | 585.0 |
Chemical Identifiers
| CAS Number | 84573-28-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C3C4=C(C=CC(C4O)O)C=C5C3=C2C6=CC=CC=C65 |
| InChIKey | VPUPXTKTDIJJAD-UHFFFAOYSA-N |
Product Overview
12,13-Dihydro-12,13-dihydroxydibenzo(a,e)fluoranthene (CAS 84573-28-4), with molecular formula C24H16O2 and molecular weight 336.12 g/mol. IUPAC: hexacyclo[14.7.1.02,7.08,24.09,14.017,22]tetracosa-1(23),2,4,6,8(24),9,11,13,15,17(22),20-undecaene-18,19-diol.
Chemical Property Profile of 12,13-Dihydro-12,13-dihydroxydibenzo(a,e)fluoranthene
Property Insights of 12,13-Dihydro-12,13-dihydroxydibenzo(a,e)fluoranthene
The XLogP value of 4.3 indicates that 12,13-Dihydro-12,13-dihydroxydibenzo(a,e)fluoranthene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 12,13-Dihydro-12,13-dihydroxydibenzo(a,e)fluoranthene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12,13-Dihydro-12,13-dihydroxydibenzo(a,e)fluoranthene 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
Frequently Asked Questions
What is the CAS number of 12,13-Dihydro-12,13-dihydroxydibenzo(a,e)fluoranthene?
The CAS number of 12,13-Dihydro-12,13-dihydroxydibenzo(a,e)fluoranthene is 84573-28-4.
What is the molecular formula of 12,13-Dihydro-12,13-dihydroxydibenzo(a,e)fluoranthene?
The molecular formula of 12,13-Dihydro-12,13-dihydroxydibenzo(a,e)fluoranthene is C24H16O2.
What is the molecular weight of 12,13-Dihydro-12,13-dihydroxydibenzo(a,e)fluoranthene?
The molecular weight of 12,13-Dihydro-12,13-dihydroxydibenzo(a,e)fluoranthene is 336.12 g/mol.
Where can I buy 12,13-Dihydro-12,13-dihydroxydibenzo(a,e)fluoranthene?
You can request a quote for 12,13-Dihydro-12,13-dihydroxydibenzo(a,e)fluoranthene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12,13-Dihydro-12,13-dihydroxydibenzo(a,e)fluoranthene?
Yes, KEHONG BIO provides custom synthesis services for 12,13-Dihydro-12,13-dihydroxydibenzo(a,e)fluoranthene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.