2-(1-芘基)戊二酸1-乙酯
TL;DR: 2-(1-芘基)戊二酸1-乙酯 (CAS 86803-14-7) is a chemical compound with molecular formula C23H20O4 and molecular weight 360.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-芘基)戊二酸1-乙酯
5-ethoxy-5-oxo-4-pyren-1-ylpentanoic acid
Also Known As: Pentanedioic acid, 2-(1-pyrenyl)-, 1-ethyl ester, 5-ethoxy-5-oxo-4-pyren-1-ylpentanoic acid, 5-ethoxy-5-oxo-4-pyren-1-yl-pentanoic Acid, 5-ethoxy-5-oxo-4-(pyren-1-yl)pentanoic acid, Pentanedioic acid,2-(1-pyrenyl)-, 1-ethyl ester
| Molecular Formula | C23H20O4 |
|---|---|
| Molecular Weight | 360.14 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 360.13617 |
| Heavy Atoms | 27 |
| Complexity | 559.0 |
Chemical Identifiers
| CAS Number | 86803-14-7 |
|---|---|
| SMILES | CCOC(=O)C(CCC(=O)O)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1 |
| InChIKey | IULLELDBNIPVHU-UHFFFAOYSA-N |
Product Overview
2-(1-芘基)戊二酸1-乙酯 (CAS 86803-14-7), with molecular formula C23H20O4 and molecular weight 360.14 g/mol. IUPAC: 5-ethoxy-5-oxo-4-pyren-1-ylpentanoic acid.
Chemical Property Profile of 2-(1-芘基)戊二酸1-乙酯
Property Insights of 2-(1-芘基)戊二酸1-乙酯
The XLogP value of 5.1 indicates that 2-(1-芘基)戊二酸1-乙酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-芘基)戊二酸1-乙酯. Following Lipinski's Rule of Five, 2-(1-芘基)戊二酸1-乙酯 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(1-芘基)戊二酸1-乙酯?
The CAS number of 2-(1-芘基)戊二酸1-乙酯 is 86803-14-7.
What is the molecular formula of 2-(1-芘基)戊二酸1-乙酯?
The molecular formula of 2-(1-芘基)戊二酸1-乙酯 is C23H20O4.
What is the molecular weight of 2-(1-芘基)戊二酸1-乙酯?
The molecular weight of 2-(1-芘基)戊二酸1-乙酯 is 360.14 g/mol.
Where can I buy 2-(1-芘基)戊二酸1-乙酯?
You can request a quote for 2-(1-芘基)戊二酸1-乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-芘基)戊二酸1-乙酯?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-芘基)戊二酸1-乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.