1,2-Epoxy-1,2,3,4-tetrahydrobenz(a)anthracene
TL;DR: 1,2-Epoxy-1,2,3,4-tetrahydrobenz(a)anthracene (CAS 64521-16-0) is a chemical compound with molecular formula C18H14O and molecular weight 246.10446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-oxapentacyclo[9.8.0.02,8.03,5.013,18]nonadeca-1(19),2(8),9,11,13,15,17-heptaene
Also Known As: Tetrahydrobenz(a)anthracene-1,2-epoxide, Tetrahydrobenz(a)anthracen-1,2-epoxide, 1,2-Epoxy-1,2,3,4-tetrahydrobenz(a)anthracene, 1,2,3,4-Tetrahydro-1,2-epoxybenz[a]anthracene, 1a,2,3,11c-Tetrahydrobenzo[6,7]phenanthro[3,4-b]oxirene
Technical Specifications
| Molecular Formula | C18H14O |
| Molecular Weight | 246.10446 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 246.10446 Da |
| Heavy Atoms | 19 |
| Complexity | 365.0 |
| SMILES | C1CC2=C(C3C1O3)C4=CC5=CC=CC=C5C=C4C=C2 |
| InChIKey | BPWAWXRCSBRVLU-UHFFFAOYSA-N |
Chemical Property Profile of 1,2-Epoxy-1,2,3,4-tetrahydrobenz(a)anthracene
Property Insights of 1,2-Epoxy-1,2,3,4-tetrahydrobenz(a)anthracene
The XLogP value of 4.1 indicates that 1,2-Epoxy-1,2,3,4-tetrahydrobenz(a)anthracene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, 1,2-Epoxy-1,2,3,4-tetrahydrobenz(a)anthracene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Epoxy-1,2,3,4-tetrahydrobenz(a)anthracene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,2-Epoxy-1,2,3,4-tetrahydrobenz(a)anthracene?
The CAS number of 1,2-Epoxy-1,2,3,4-tetrahydrobenz(a)anthracene is 64521-16-0.
What is the molecular formula of 1,2-Epoxy-1,2,3,4-tetrahydrobenz(a)anthracene?
The molecular formula of 1,2-Epoxy-1,2,3,4-tetrahydrobenz(a)anthracene is C18H14O.
What is the molecular weight of 1,2-Epoxy-1,2,3,4-tetrahydrobenz(a)anthracene?
The molecular weight of 1,2-Epoxy-1,2,3,4-tetrahydrobenz(a)anthracene is 246.10446 g/mol.
Where can I buy 1,2-Epoxy-1,2,3,4-tetrahydrobenz(a)anthracene?
You can request a quote for 1,2-Epoxy-1,2,3,4-tetrahydrobenz(a)anthracene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2-Epoxy-1,2,3,4-tetrahydrobenz(a)anthracene?
Yes, CoreyChem provides custom synthesis services for 1,2-Epoxy-1,2,3,4-tetrahydrobenz(a)anthracene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.