1,3-Benzenedicarboxylic acid, 1,3-bis(nonylphenyl) ester
TL;DR: 1,3-Benzenedicarboxylic acid, 1,3-bis(nonylphenyl) ester (CAS 63450-27-1) is a chemical compound with molecular formula C38H50O4 and molecular weight 570.3709 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(4-nonylphenyl) benzene-1,3-dicarboxylate
Also Known As: 2-Oxetanone,4-(1-propenyl), bis(4-nonylphenyl) benzene-1,3-dicarboxylate, 1,3-Benzenedicarboxylic acid, bis(nonylphenyl) ester, 1,3-Benzenedicarboxylic acid, bis(4-nonylphenyl) ester, 1,3-Benzenedicarboxylic acid, 1,3-bis(nonylphenyl) ester
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C38H50O4 |
| Molecular Weight | 570.3709 g/mol |
| XLogP | 13.9 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 22 |
| Exact Mass | 570.3709 Da |
| Heavy Atoms | 42 |
| Complexity | 646.0 |
| SMILES | CCCCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)C(=O)OC3=CC=C(C=C3)CCCCCCCCC |
| InChIKey | DVPFDZGCFKKBDD-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Benzenedicarboxylic acid, 1,3-bis(nonylphenyl) ester
Property Insights of 1,3-Benzenedicarboxylic acid, 1,3-bis(nonylphenyl) ester
The XLogP value of 13.9 indicates that 1,3-Benzenedicarboxylic acid, 1,3-bis(nonylphenyl) 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, 1,3-Benzenedicarboxylic acid, 1,3-bis(nonylphenyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzenedicarboxylic acid, 1,3-bis(nonylphenyl) ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1,3-Benzenedicarboxylic acid, 1,3-bis(nonylphenyl) ester?
The CAS number of 1,3-Benzenedicarboxylic acid, 1,3-bis(nonylphenyl) ester is 63450-27-1.
What is the molecular formula of 1,3-Benzenedicarboxylic acid, 1,3-bis(nonylphenyl) ester?
The molecular formula of 1,3-Benzenedicarboxylic acid, 1,3-bis(nonylphenyl) ester is C38H50O4.
What is the molecular weight of 1,3-Benzenedicarboxylic acid, 1,3-bis(nonylphenyl) ester?
The molecular weight of 1,3-Benzenedicarboxylic acid, 1,3-bis(nonylphenyl) ester is 570.3709 g/mol.
Where can I buy 1,3-Benzenedicarboxylic acid, 1,3-bis(nonylphenyl) ester?
You can request a quote for 1,3-Benzenedicarboxylic acid, 1,3-bis(nonylphenyl) ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Benzenedicarboxylic acid, 1,3-bis(nonylphenyl) ester?
Yes, CoreyChem provides custom synthesis services for 1,3-Benzenedicarboxylic acid, 1,3-bis(nonylphenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.