1,2-Benzenedicarboxylic acid, 1-isooctyl 2-(2-mercaptoethyl) ester
TL;DR: 1,2-Benzenedicarboxylic acid, 1-isooctyl 2-(2-mercaptoethyl) ester (CAS 67907-16-8) is a chemical compound with molecular formula C18H26O4S and molecular weight 338.15518 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-O-(6-methylheptyl) 2-O-(2-sulfanylethyl) benzene-1,2-dicarboxylate
Also Known As: 2-Mercaptoethyl isooctyl phthalate, Isooctyl 2-mercaptoethyl phthalate, 1,2-Benzenedicarboxylic acid, isooctyl 2-mercaptoethyl ester, 6-methylheptyl 2-sulfanylethyl benzene-1,2-dicarboxylate, 1,2-Benzenedicarboxylic acid, 1-isooctyl 2-(2-mercaptoethyl) ester
Technical Specifications
| Molecular Formula | C18H26O4S |
| Molecular Weight | 338.15518 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 53.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 338.15518 Da |
| Heavy Atoms | 23 |
| Complexity | 357.0 |
| SMILES | CC(C)CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCS |
| InChIKey | KWNLPAQLPZUUKG-UHFFFAOYSA-N |
Chemical Property Profile of 1,2-Benzenedicarboxylic acid, 1-isooctyl 2-(2-mercaptoethyl) ester
Property Insights of 1,2-Benzenedicarboxylic acid, 1-isooctyl 2-(2-mercaptoethyl) ester
The XLogP value of 5.6 indicates that 1,2-Benzenedicarboxylic acid, 1-isooctyl 2-(2-mercaptoethyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.6 Ų, 1,2-Benzenedicarboxylic acid, 1-isooctyl 2-(2-mercaptoethyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Benzenedicarboxylic acid, 1-isooctyl 2-(2-mercaptoethyl) ester has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1,2-Benzenedicarboxylic acid, 1-isooctyl 2-(2-mercaptoethyl) ester?
The CAS number of 1,2-Benzenedicarboxylic acid, 1-isooctyl 2-(2-mercaptoethyl) ester is 67907-16-8.
What is the molecular formula of 1,2-Benzenedicarboxylic acid, 1-isooctyl 2-(2-mercaptoethyl) ester?
The molecular formula of 1,2-Benzenedicarboxylic acid, 1-isooctyl 2-(2-mercaptoethyl) ester is C18H26O4S.
What is the molecular weight of 1,2-Benzenedicarboxylic acid, 1-isooctyl 2-(2-mercaptoethyl) ester?
The molecular weight of 1,2-Benzenedicarboxylic acid, 1-isooctyl 2-(2-mercaptoethyl) ester is 338.15518 g/mol.
Where can I buy 1,2-Benzenedicarboxylic acid, 1-isooctyl 2-(2-mercaptoethyl) ester?
You can request a quote for 1,2-Benzenedicarboxylic acid, 1-isooctyl 2-(2-mercaptoethyl) ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2-Benzenedicarboxylic acid, 1-isooctyl 2-(2-mercaptoethyl) ester?
Yes, CoreyChem provides custom synthesis services for 1,2-Benzenedicarboxylic acid, 1-isooctyl 2-(2-mercaptoethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.