1,2-Benzenedicarboxylic acid, 1-decyl ester
TL;DR: 1,2-Benzenedicarboxylic acid, 1-decyl ester (CAS 24539-60-4) is a chemical compound with molecular formula C18H26O4 and molecular weight 306.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-decoxycarbonylbenzoic acid
Also Known As: Decyl hydrogen phthalate, monodecyl phthalate, 2-((Decyloxy)carbonyl)benzoic acid, 2-decoxycarbonylbenzoic acid, 2-[(decyloxy)carbonyl]benzoic acid
| Molecular Formula | C18H26O4 |
|---|---|
| Molecular Weight | 306.18 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 306.1831 |
| Heavy Atoms | 22 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 24539-60-4 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)O |
| InChIKey | FEFCILUKYGHITK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Benzenedicarboxylic acid, 1-decyl ester (CAS 24539-60-4), with molecular formula C18H26O4 and molecular weight 306.18 g/mol. IUPAC: 2-decoxycarbonylbenzoic acid.
Chemical Property Profile of 1,2-Benzenedicarboxylic acid, 1-decyl ester
Property Insights of 1,2-Benzenedicarboxylic acid, 1-decyl ester
The XLogP value of 6.4 indicates that 1,2-Benzenedicarboxylic acid, 1-decyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzenedicarboxylic acid, 1-decyl ester. Following Lipinski's Rule of Five, 1,2-Benzenedicarboxylic acid, 1-decyl ester has 1 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 ester?
The CAS number of 1,2-Benzenedicarboxylic acid, 1-decyl ester is 24539-60-4.
What is the molecular formula of 1,2-Benzenedicarboxylic acid, 1-decyl ester?
The molecular formula of 1,2-Benzenedicarboxylic acid, 1-decyl ester is C18H26O4.
What is the molecular weight of 1,2-Benzenedicarboxylic acid, 1-decyl ester?
The molecular weight of 1,2-Benzenedicarboxylic acid, 1-decyl ester is 306.18 g/mol.
Where can I buy 1,2-Benzenedicarboxylic acid, 1-decyl ester?
You can request a quote for 1,2-Benzenedicarboxylic acid, 1-decyl 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 ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenedicarboxylic acid, 1-decyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.