1,2-Benzenedicarboxylic acid, 1-decyl 2-hexyl ester
TL;DR: 1,2-Benzenedicarboxylic acid, 1-decyl 2-hexyl ester (CAS 25724-58-7) is a chemical compound with molecular formula C24H38O4 and molecular weight 390.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-decyl 1-O-hexyl benzene-1,2-dicarboxylate
Also Known As: Decyl hexyl phthalate, hexyl decyl phthalate, n-hexyl n-decyl phthalate, PHTHALIC ACID, DECYL HEXYL ESTER, 1-Decyl 2-hexyl phthalate #
| Molecular Formula | C24H38O4 |
|---|---|
| Molecular Weight | 390.28 g/mol |
| LogP | 9.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 18 |
| Exact Mass | 390.277 |
| Heavy Atoms | 28 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 25724-58-7 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC |
| InChIKey | OMQBXAQAHHFSST-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Benzenedicarboxylic acid, 1-decyl 2-hexyl ester (CAS 25724-58-7), with molecular formula C24H38O4 and molecular weight 390.28 g/mol. IUPAC: 2-O-decyl 1-O-hexyl benzene-1,2-dicarboxylate.
Chemical Property Profile of 1,2-Benzenedicarboxylic acid, 1-decyl 2-hexyl ester
Property Insights of 1,2-Benzenedicarboxylic acid, 1-decyl 2-hexyl ester
The XLogP value of 9.1 indicates that 1,2-Benzenedicarboxylic acid, 1-decyl 2-hexyl 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, 1,2-Benzenedicarboxylic acid, 1-decyl 2-hexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Benzenedicarboxylic acid, 1-decyl 2-hexyl 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 1,2-Benzenedicarboxylic acid, 1-decyl 2-hexyl ester?
The CAS number of 1,2-Benzenedicarboxylic acid, 1-decyl 2-hexyl ester is 25724-58-7.
What is the molecular formula of 1,2-Benzenedicarboxylic acid, 1-decyl 2-hexyl ester?
The molecular formula of 1,2-Benzenedicarboxylic acid, 1-decyl 2-hexyl ester is C24H38O4.
What is the molecular weight of 1,2-Benzenedicarboxylic acid, 1-decyl 2-hexyl ester?
The molecular weight of 1,2-Benzenedicarboxylic acid, 1-decyl 2-hexyl ester is 390.28 g/mol.
Where can I buy 1,2-Benzenedicarboxylic acid, 1-decyl 2-hexyl ester?
You can request a quote for 1,2-Benzenedicarboxylic acid, 1-decyl 2-hexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzenedicarboxylic acid, 1-decyl 2-hexyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenedicarboxylic acid, 1-decyl 2-hexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.