Diethyl 2-pyren-1-ylpentanedioate
TL;DR: Diethyl 2-pyren-1-ylpentanedioate (CAS 86803-13-6) is a chemical compound with molecular formula C25H24O4 and molecular weight 388.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-pyren-1-ylpentanedioate
Also Known As: Diethyl 2-pyren-1-ylpentanedioate, diethyl 2-(pyren-1-yl)pentanedioate, Pentanedioic acid, 2-pyren-1-yl-, diethyl ester
| Molecular Formula | C25H24O4 |
|---|---|
| Molecular Weight | 388.17 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 388.16745 |
| Heavy Atoms | 29 |
| Complexity | 587.0 |
Chemical Identifiers
| CAS Number | 86803-13-6 |
|---|---|
| SMILES | CCOC(=O)CCC(C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)C(=O)OCC |
| InChIKey | BCQFVKFGZYLQHZ-UHFFFAOYSA-N |
Product Overview
Diethyl 2-pyren-1-ylpentanedioate (CAS 86803-13-6), with molecular formula C25H24O4 and molecular weight 388.17 g/mol. IUPAC: diethyl 2-pyren-1-ylpentanedioate.
Chemical Property Profile of Diethyl 2-pyren-1-ylpentanedioate
Property Insights of Diethyl 2-pyren-1-ylpentanedioate
The XLogP value of 5.8 indicates that Diethyl 2-pyren-1-ylpentanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl 2-pyren-1-ylpentanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 2-pyren-1-ylpentanedioate has 0 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 Diethyl 2-pyren-1-ylpentanedioate?
The CAS number of Diethyl 2-pyren-1-ylpentanedioate is 86803-13-6.
What is the molecular formula of Diethyl 2-pyren-1-ylpentanedioate?
The molecular formula of Diethyl 2-pyren-1-ylpentanedioate is C25H24O4.
What is the molecular weight of Diethyl 2-pyren-1-ylpentanedioate?
The molecular weight of Diethyl 2-pyren-1-ylpentanedioate is 388.17 g/mol.
Where can I buy Diethyl 2-pyren-1-ylpentanedioate?
You can request a quote for Diethyl 2-pyren-1-ylpentanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-pyren-1-ylpentanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-pyren-1-ylpentanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.