4-Acetoxy-3,4-dihydrocyclopenta(cd)pyrene
TL;DR: 4-Acetoxy-3,4-dihydrocyclopenta(cd)pyrene (CAS 105708-68-7) is a chemical compound with molecular formula C20H14O2 and molecular weight 286.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-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: 4-Acetoxy-3,4-dihydrocyclopenta(cd)pyrene, 3,4-Dihydrocyclopenta[cd]pyren-4-yl acetate, Cyclopenta[cd]pyren-4-ol,3,4-dihydro-, 4-acetate, 4-ACETOXY-3,4-DIHYDROCYCLOPENTA[CD]PYRENE, Cyclopenta[cd]pyren-4-ol,3,4-dihydro-,acetate (9CI)
| Molecular Formula | C20H14O2 |
|---|---|
| Molecular Weight | 286.10 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.09937 |
| Heavy Atoms | 22 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 105708-68-7 |
|---|---|
| SMILES | CC(=O)OC1CC2=C3C1=CC4=CC=CC5=C4C3=C(C=C2)C=C5 |
| InChIKey | BOHOPOXPTHDIHI-UHFFFAOYSA-N |
Product Overview
4-Acetoxy-3,4-dihydrocyclopenta(cd)pyrene (CAS 105708-68-7), with molecular formula C20H14O2 and molecular weight 286.10 g/mol. IUPAC: 2-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.
Chemical Property Profile of 4-Acetoxy-3,4-dihydrocyclopenta(cd)pyrene
Property Insights of 4-Acetoxy-3,4-dihydrocyclopenta(cd)pyrene
The XLogP value of 4.8 indicates that 4-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, 4-Acetoxy-3,4-dihydrocyclopenta(cd)pyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-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
Frequently Asked Questions
What is the CAS number of 4-Acetoxy-3,4-dihydrocyclopenta(cd)pyrene?
The CAS number of 4-Acetoxy-3,4-dihydrocyclopenta(cd)pyrene is 105708-68-7.
What is the molecular formula of 4-Acetoxy-3,4-dihydrocyclopenta(cd)pyrene?
The molecular formula of 4-Acetoxy-3,4-dihydrocyclopenta(cd)pyrene is C20H14O2.
What is the molecular weight of 4-Acetoxy-3,4-dihydrocyclopenta(cd)pyrene?
The molecular weight of 4-Acetoxy-3,4-dihydrocyclopenta(cd)pyrene is 286.10 g/mol.
Where can I buy 4-Acetoxy-3,4-dihydrocyclopenta(cd)pyrene?
You can request a quote for 4-Acetoxy-3,4-dihydrocyclopenta(cd)pyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetoxy-3,4-dihydrocyclopenta(cd)pyrene?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetoxy-3,4-dihydrocyclopenta(cd)pyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.