1,4-Benzenedicarboxylic acid, dodecyl ethyl ester
TL;DR: 1,4-Benzenedicarboxylic acid, dodecyl ethyl ester (CAS 54699-32-0) is a chemical compound with molecular formula C22H34O4 and molecular weight 362.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-dodecyl 1-O-ethyl benzene-1,4-dicarboxylate
Also Known As: 1-Dodecyl 4-ethyl terephthalate #, 1,4-Benzenedicarboxylic acid, dodecyl ethyl ester, 1,4-Benzenedicarboxylicacid1-dodecyl4-ethylester, 1-dodecyl 4-ethyl benzene-1,4-dicarboxylate, 1,4-Benzenedicarboxylic acid 1-dodecyl 4-ethyl ester
| Molecular Formula | C22H34O4 |
|---|---|
| Molecular Weight | 362.25 g/mol |
| LogP | 8.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Exact Mass | 362.2457 |
| Heavy Atoms | 26 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 54699-32-0 |
|---|---|
| SMILES | CCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)C(=O)OCC |
| InChIKey | NUDDPKPUKLUAJQ-UHFFFAOYSA-N |
Product Overview
1,4-Benzenedicarboxylic acid, dodecyl ethyl ester (CAS 54699-32-0), with molecular formula C22H34O4 and molecular weight 362.25 g/mol. IUPAC: 4-O-dodecyl 1-O-ethyl benzene-1,4-dicarboxylate.
Chemical Property Profile of 1,4-Benzenedicarboxylic acid, dodecyl ethyl ester
Property Insights of 1,4-Benzenedicarboxylic acid, dodecyl ethyl ester
The XLogP value of 8.1 indicates that 1,4-Benzenedicarboxylic acid, dodecyl ethyl 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, 1,4-Benzenedicarboxylic acid, dodecyl ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Benzenedicarboxylic acid, dodecyl ethyl ester 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 1,4-Benzenedicarboxylic acid, dodecyl ethyl ester?
The CAS number of 1,4-Benzenedicarboxylic acid, dodecyl ethyl ester is 54699-32-0.
What is the molecular formula of 1,4-Benzenedicarboxylic acid, dodecyl ethyl ester?
The molecular formula of 1,4-Benzenedicarboxylic acid, dodecyl ethyl ester is C22H34O4.
What is the molecular weight of 1,4-Benzenedicarboxylic acid, dodecyl ethyl ester?
The molecular weight of 1,4-Benzenedicarboxylic acid, dodecyl ethyl ester is 362.25 g/mol.
Where can I buy 1,4-Benzenedicarboxylic acid, dodecyl ethyl ester?
You can request a quote for 1,4-Benzenedicarboxylic acid, dodecyl ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Benzenedicarboxylic acid, dodecyl ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzenedicarboxylic acid, dodecyl ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.