Dimethyl 5,6-acenaphthenedicarboxylate
TL;DR: Dimethyl 5,6-acenaphthenedicarboxylate (CAS 468-53-1) is a chemical compound with molecular formula C16H14O4 and molecular weight 270.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 1,2-dihydroacenaphthylene-5,6-dicarboxylate
Also Known As: Dimethyl 5,6-acenaphthenedicarboxylate, dimethyl 1,2-dihydroacenaphthylene-5,6-dicarboxylate, J1.769.870B, 5,6-Acenaphthylenedicarboxylicacid, 1,2-dihydro-, 5,6-dimethyl ester, Acenaphthene-5,6-dicarboxylic acid dimethyl ester
| Molecular Formula | C16H14O4 |
|---|---|
| Molecular Weight | 270.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 270.0892 |
| Heavy Atoms | 20 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 468-53-1 |
|---|---|
| SMILES | COC(=O)C1=C2C(=CC=C3C2=C(CC3)C=C1)C(=O)OC |
| InChIKey | KZDDQWFGWDKABI-UHFFFAOYSA-N |
Product Overview
Dimethyl 5,6-acenaphthenedicarboxylate (CAS 468-53-1), with molecular formula C16H14O4 and molecular weight 270.09 g/mol. IUPAC: dimethyl 1,2-dihydroacenaphthylene-5,6-dicarboxylate.
Chemical Property Profile of Dimethyl 5,6-acenaphthenedicarboxylate
Property Insights of Dimethyl 5,6-acenaphthenedicarboxylate
The XLogP value of 3.2 indicates that Dimethyl 5,6-acenaphthenedicarboxylate 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 5,6-acenaphthenedicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 5,6-acenaphthenedicarboxylate 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 5,6-acenaphthenedicarboxylate?
The CAS number of Dimethyl 5,6-acenaphthenedicarboxylate is 468-53-1.
What is the molecular formula of Dimethyl 5,6-acenaphthenedicarboxylate?
The molecular formula of Dimethyl 5,6-acenaphthenedicarboxylate is C16H14O4.
What is the molecular weight of Dimethyl 5,6-acenaphthenedicarboxylate?
The molecular weight of Dimethyl 5,6-acenaphthenedicarboxylate is 270.09 g/mol.
Where can I buy Dimethyl 5,6-acenaphthenedicarboxylate?
You can request a quote for Dimethyl 5,6-acenaphthenedicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 5,6-acenaphthenedicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5,6-acenaphthenedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.