3-Acetoxy-3,4-dihydrocyclopenta(cd)pyrene
TL;DR: 3-Acetoxy-3,4-dihydrocyclopenta(cd)pyrene (CAS 105708-67-6) 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.
3-pentacyclo[12.3.1.04,17.07,16.010,15]octadeca-1(18),4(17),5,7(16),8,10(15),11,13-octaenyl acetate
Also Known As: 3-Acetoxy-3,4-dihydrocyclopenta(cd)pyrene, 3,4-Dihydrocyclopenta[cd]pyren-3-yl acetate, Cyclopenta[cd]pyren-3-ol,3,4-dihydro-, 3-acetate, 3-ACETOXY-3,4-DIHYDROCYCLOPENTA[CD]PYRENE, 3-pentacyclo[12.3.1.04,17.07,16.010,15]octadeca-1(18),4(17),5,7(16),8,10(15),11,13-octaenyl acetate
Technical Specifications
| Molecular Formula | C20H14O2 |
| Molecular Weight | 286.09937 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.09937 Da |
| Heavy Atoms | 22 |
| Complexity | 472.0 |
| SMILES | CC(=O)OC1CC2=CC3=CC=CC4=C3C5=C(C=C4)C=CC1=C25 |
| InChIKey | VDWHJWAVLSNCAK-UHFFFAOYSA-N |
Chemical Property Profile of 3-Acetoxy-3,4-dihydrocyclopenta(cd)pyrene
Property Insights of 3-Acetoxy-3,4-dihydrocyclopenta(cd)pyrene
The XLogP value of 4.8 indicates that 3-Acetoxy-3,4-dihydrocyclopenta(cd)pyrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Acetoxy-3,4-dihydrocyclopenta(cd)pyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Acetoxy-3,4-dihydrocyclopenta(cd)pyrene has 0 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-Acetoxy-3,4-dihydrocyclopenta(cd)pyrene?
The CAS number of 3-Acetoxy-3,4-dihydrocyclopenta(cd)pyrene is 105708-67-6.
What is the molecular formula of 3-Acetoxy-3,4-dihydrocyclopenta(cd)pyrene?
The molecular formula of 3-Acetoxy-3,4-dihydrocyclopenta(cd)pyrene is C20H14O2.
What is the molecular weight of 3-Acetoxy-3,4-dihydrocyclopenta(cd)pyrene?
The molecular weight of 3-Acetoxy-3,4-dihydrocyclopenta(cd)pyrene is 286.09937 g/mol.
Where can I buy 3-Acetoxy-3,4-dihydrocyclopenta(cd)pyrene?
You can request a quote for 3-Acetoxy-3,4-dihydrocyclopenta(cd)pyrene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Acetoxy-3,4-dihydrocyclopenta(cd)pyrene?
Yes, CoreyChem provides custom synthesis services for 3-Acetoxy-3,4-dihydrocyclopenta(cd)pyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.