1,3-Benzenedicarboxylic acid, dihexyl ester
TL;DR: 1,3-Benzenedicarboxylic acid, dihexyl ester (CAS 4623-71-6) is a chemical compound with molecular formula C20H30O4 and molecular weight 334.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dihexyl benzene-1,3-dicarboxylate
Also Known As: dihexyl isophthalate, Isophthalsaeure-dihexylester, dihexyl benzene-1,3-dicarboxylate, Isophthalic acid, dihexyl ester, 1,3-Benzenedicarboxylic acid, dihexyl ester
| Molecular Formula | C20H30O4 |
|---|---|
| Molecular Weight | 334.21 g/mol |
| LogP | 7.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 334.21442 |
| Heavy Atoms | 24 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 4623-71-6 |
|---|---|
| SMILES | CCCCCCOC(=O)C1=CC(=CC=C1)C(=O)OCCCCCC |
| InChIKey | FGWAPOKSKMNBEN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Benzenedicarboxylic acid, dihexyl ester (CAS 4623-71-6), with molecular formula C20H30O4 and molecular weight 334.21 g/mol. IUPAC: dihexyl benzene-1,3-dicarboxylate.
Chemical Property Profile of 1,3-Benzenedicarboxylic acid, dihexyl ester
Property Insights of 1,3-Benzenedicarboxylic acid, dihexyl ester
The XLogP value of 7.7 indicates that 1,3-Benzenedicarboxylic acid, dihexyl 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, 1,3-Benzenedicarboxylic acid, dihexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzenedicarboxylic acid, dihexyl 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 1,3-Benzenedicarboxylic acid, dihexyl ester?
The CAS number of 1,3-Benzenedicarboxylic acid, dihexyl ester is 4623-71-6.
What is the molecular formula of 1,3-Benzenedicarboxylic acid, dihexyl ester?
The molecular formula of 1,3-Benzenedicarboxylic acid, dihexyl ester is C20H30O4.
What is the molecular weight of 1,3-Benzenedicarboxylic acid, dihexyl ester?
The molecular weight of 1,3-Benzenedicarboxylic acid, dihexyl ester is 334.21 g/mol.
Where can I buy 1,3-Benzenedicarboxylic acid, dihexyl ester?
You can request a quote for 1,3-Benzenedicarboxylic acid, dihexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzenedicarboxylic acid, dihexyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenedicarboxylic acid, dihexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.