2-Dodecoxycarbonylterephthalic acid
TL;DR: 2-Dodecoxycarbonylterephthalic acid (CAS 68084-57-1) is a chemical compound with molecular formula C21H30O6 and molecular weight 378.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-dodecoxycarbonylterephthalic acid
Also Known As: Monolauryl trimellitate, Trimellitic acid, monododecyl ester, 2-dodecoxycarbonylterephthalic acid, 2-[(dodecyloxy)carbonyl]benzene-1,4-dicarboxylic acid, 1,2,4-Benzenetricarboxylic acid, monododecyl ester
| Molecular Formula | C21H30O6 |
|---|---|
| Molecular Weight | 378.20 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 15 |
| Exact Mass | 378.20422 |
| Heavy Atoms | 27 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 68084-57-1 |
|---|---|
| SMILES | CCCCCCCCCCCCOC(=O)C1=C(C=CC(=C1)C(=O)O)C(=O)O |
| InChIKey | OBSJGKJRKWMFSF-UHFFFAOYSA-N |
Product Overview
2-Dodecoxycarbonylterephthalic acid (CAS 68084-57-1), with molecular formula C21H30O6 and molecular weight 378.20 g/mol. IUPAC: 2-dodecoxycarbonylterephthalic acid.
Chemical Property Profile of 2-Dodecoxycarbonylterephthalic acid
Property Insights of 2-Dodecoxycarbonylterephthalic acid
The XLogP value of 6.4 indicates that 2-Dodecoxycarbonylterephthalic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Dodecoxycarbonylterephthalic acid. Following Lipinski's Rule of Five, 2-Dodecoxycarbonylterephthalic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Dodecoxycarbonylterephthalic acid?
The CAS number of 2-Dodecoxycarbonylterephthalic acid is 68084-57-1.
What is the molecular formula of 2-Dodecoxycarbonylterephthalic acid?
The molecular formula of 2-Dodecoxycarbonylterephthalic acid is C21H30O6.
What is the molecular weight of 2-Dodecoxycarbonylterephthalic acid?
The molecular weight of 2-Dodecoxycarbonylterephthalic acid is 378.20 g/mol.
Where can I buy 2-Dodecoxycarbonylterephthalic acid?
You can request a quote for 2-Dodecoxycarbonylterephthalic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Dodecoxycarbonylterephthalic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Dodecoxycarbonylterephthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.