Dimethyl acenaphthylene-5,6-dicarboxylate
TL;DR: Dimethyl acenaphthylene-5,6-dicarboxylate (CAS 93905-75-0) is a chemical compound with molecular formula C16H12O4 and molecular weight 268.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl acenaphthylene-5,6-dicarboxylate
Also Known As: dimethyl acenaphthylene-5,6-dicarboxylate, dimethyl acenaphthylene-4,5-dicarboxylate, 5,6-dimethylidenebicyclo<2.2.2>oct-2-ene
| Molecular Formula | C16H12O4 |
|---|---|
| Molecular Weight | 268.07 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.07355 |
| Heavy Atoms | 20 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 93905-75-0 |
|---|---|
| SMILES | COC(=O)C1=C2C(=CC=C3C2=C(C=C3)C=C1)C(=O)OC |
| InChIKey | BINLBFOXUUZORY-UHFFFAOYSA-N |
Product Overview
Dimethyl acenaphthylene-5,6-dicarboxylate (CAS 93905-75-0), with molecular formula C16H12O4 and molecular weight 268.07 g/mol. IUPAC: dimethyl acenaphthylene-5,6-dicarboxylate.
Chemical Property Profile of Dimethyl acenaphthylene-5,6-dicarboxylate
Property Insights of Dimethyl acenaphthylene-5,6-dicarboxylate
The XLogP value of 3.4 indicates that Dimethyl acenaphthylene-5,6-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl acenaphthylene-5,6-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl acenaphthylene-5,6-dicarboxylate has 0 hydrogen bond donor(s) and 4 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 Dimethyl acenaphthylene-5,6-dicarboxylate?
The CAS number of Dimethyl acenaphthylene-5,6-dicarboxylate is 93905-75-0.
What is the molecular formula of Dimethyl acenaphthylene-5,6-dicarboxylate?
The molecular formula of Dimethyl acenaphthylene-5,6-dicarboxylate is C16H12O4.
What is the molecular weight of Dimethyl acenaphthylene-5,6-dicarboxylate?
The molecular weight of Dimethyl acenaphthylene-5,6-dicarboxylate is 268.07 g/mol.
Where can I buy Dimethyl acenaphthylene-5,6-dicarboxylate?
You can request a quote for Dimethyl acenaphthylene-5,6-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl acenaphthylene-5,6-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl acenaphthylene-5,6-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.