Propanedioic acid, 1,3-dioctyl ester
TL;DR: Propanedioic acid, 1,3-dioctyl ester (CAS 16958-88-6) is a chemical compound with molecular formula C19H36O4 and molecular weight 328.26135 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dioctyl propanedioate
Also Known As: Dioctyl malonate, dioctyl propanedioate, DIOCTYLMALONATE, 1,3-dioctyl propanedioate, 2,2-dioctylmalonate
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C19H36O4 |
| Molecular Weight | 328.26135 g/mol |
| XLogP | 7.0 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 18 |
| Exact Mass | 328.26135 Da |
| Heavy Atoms | 23 |
| Complexity | 261.0 |
| SMILES | CCCCCCCCOC(=O)CC(=O)OCCCCCCCC |
| InChIKey | DTVMXQFQTCJMOR-UHFFFAOYSA-N |
Chemical Property Profile of Propanedioic acid, 1,3-dioctyl ester
Property Insights of Propanedioic acid, 1,3-dioctyl ester
The XLogP value of 7.0 indicates that Propanedioic acid, 1,3-dioctyl 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, Propanedioic acid, 1,3-dioctyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanedioic acid, 1,3-dioctyl 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 Propanedioic acid, 1,3-dioctyl ester?
The CAS number of Propanedioic acid, 1,3-dioctyl ester is 16958-88-6.
What is the molecular formula of Propanedioic acid, 1,3-dioctyl ester?
The molecular formula of Propanedioic acid, 1,3-dioctyl ester is C19H36O4.
What is the molecular weight of Propanedioic acid, 1,3-dioctyl ester?
The molecular weight of Propanedioic acid, 1,3-dioctyl ester is 328.26135 g/mol.
Where can I buy Propanedioic acid, 1,3-dioctyl ester?
You can request a quote for Propanedioic acid, 1,3-dioctyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Propanedioic acid, 1,3-dioctyl ester?
Yes, CoreyChem provides custom synthesis services for Propanedioic acid, 1,3-dioctyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.