Terephthalic acid, didodecyl ester
TL;DR: Terephthalic acid, didodecyl ester (CAS 18749-84-3) is a chemical compound with molecular formula C32H54O4 and molecular weight 502.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
didodecyl benzene-1,4-dicarboxylate
Also Known As: didodecyl benzene-1,4-dicarboxylate, Didodecyl terephthalate, Terephthalic acid, didodecyl ester, Terephthalic acid didodecyl ester, 1,4-Benzenedicarboxylic acid, didodecyl ester
| Molecular Formula | C32H54O4 |
|---|---|
| Molecular Weight | 502.40 g/mol |
| LogP | 14.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 26 |
| Exact Mass | 502.40222 |
| Heavy Atoms | 36 |
| Complexity | 464.0 |
Chemical Identifiers
| CAS Number | 18749-84-3 |
|---|---|
| SMILES | CCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)C(=O)OCCCCCCCCCCCC |
| InChIKey | NFDQHOWZPAMCOV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Terephthalic acid, didodecyl ester (CAS 18749-84-3), with molecular formula C32H54O4 and molecular weight 502.40 g/mol. IUPAC: didodecyl benzene-1,4-dicarboxylate.
Chemical Property Profile of Terephthalic acid, didodecyl ester
Property Insights of Terephthalic acid, didodecyl ester
The XLogP value of 14.2 indicates that Terephthalic acid, didodecyl 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, Terephthalic acid, didodecyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Terephthalic acid, didodecyl 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 Terephthalic acid, didodecyl ester?
The CAS number of Terephthalic acid, didodecyl ester is 18749-84-3.
What is the molecular formula of Terephthalic acid, didodecyl ester?
The molecular formula of Terephthalic acid, didodecyl ester is C32H54O4.
What is the molecular weight of Terephthalic acid, didodecyl ester?
The molecular weight of Terephthalic acid, didodecyl ester is 502.40 g/mol.
Where can I buy Terephthalic acid, didodecyl ester?
You can request a quote for Terephthalic acid, didodecyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Terephthalic acid, didodecyl ester?
Yes, KEHONG BIO provides custom synthesis services for Terephthalic acid, didodecyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.