4,9-Pyrenedicarboxylic acid, 4,5,9,10-tetrahydro-, diethyl ester
TL;DR: 4,9-Pyrenedicarboxylic acid, 4,5,9,10-tetrahydro-, diethyl ester (CAS 113361-70-9) is a chemical compound with molecular formula C22H22O4 and molecular weight 350.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4,5,9,10-tetrahydropyrene-4,9-dicarboxylate
Also Known As: Diethyl 4,5,9,10-tetrahydropyrene-4,9-dicarboxylate, 4,9-Pyrenedicarboxylic acid, 4,5,9,10-tetrahydro-, diethyl ester, AB-131/42301584, diethyl4,5,9,10-tetrahydro-4,9-pyrenedicarboxylate, 4,9-Pyrenedicarboxylic acid,4,5,9,10-tetrahydro-,diethyl ester
| Molecular Formula | C22H22O4 |
|---|---|
| Molecular Weight | 350.15 g/mol |
| LogP | 3.7592 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.1518 |
| Heavy Atoms | 26 |
| Complexity | 810.2061 |
Chemical Identifiers
| CAS Number | 113361-70-9 |
|---|---|
| SMILES | CCOC(=O)C1CC2=C3C(=CC=C2)C(CC4=C3C1=CC=C4)C(=O)OCC |
Product Overview
4,9-Pyrenedicarboxylic acid, 4,5,9,10-tetrahydro-, diethyl ester (CAS 113361-70-9), with molecular formula C22H22O4 and molecular weight 350.15 g/mol. IUPAC: diethyl 4,5,9,10-tetrahydropyrene-4,9-dicarboxylate.
Chemical Property Profile of 4,9-Pyrenedicarboxylic acid, 4,5,9,10-tetrahydro-, diethyl ester
Property Insights of 4,9-Pyrenedicarboxylic acid, 4,5,9,10-tetrahydro-, diethyl ester
The XLogP value of 3.7592 indicates that 4,9-Pyrenedicarboxylic acid, 4,5,9,10-tetrahydro-, diethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 4,9-Pyrenedicarboxylic acid, 4,5,9,10-tetrahydro-, diethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,9-Pyrenedicarboxylic acid, 4,5,9,10-tetrahydro-, diethyl ester 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 4,9-Pyrenedicarboxylic acid, 4,5,9,10-tetrahydro-, diethyl ester?
The CAS number of 4,9-Pyrenedicarboxylic acid, 4,5,9,10-tetrahydro-, diethyl ester is 113361-70-9.
What is the molecular formula of 4,9-Pyrenedicarboxylic acid, 4,5,9,10-tetrahydro-, diethyl ester?
The molecular formula of 4,9-Pyrenedicarboxylic acid, 4,5,9,10-tetrahydro-, diethyl ester is C22H22O4.
What is the molecular weight of 4,9-Pyrenedicarboxylic acid, 4,5,9,10-tetrahydro-, diethyl ester?
The molecular weight of 4,9-Pyrenedicarboxylic acid, 4,5,9,10-tetrahydro-, diethyl ester is 350.15 g/mol.
Where can I buy 4,9-Pyrenedicarboxylic acid, 4,5,9,10-tetrahydro-, diethyl ester?
You can request a quote for 4,9-Pyrenedicarboxylic acid, 4,5,9,10-tetrahydro-, diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,9-Pyrenedicarboxylic acid, 4,5,9,10-tetrahydro-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4,9-Pyrenedicarboxylic acid, 4,5,9,10-tetrahydro-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.