1,2-Benzenedicarboxylic acid, mono(1-ethylbutyl) ester
TL;DR: 1,2-Benzenedicarboxylic acid, mono(1-ethylbutyl) ester (CAS 84489-34-9) is a chemical compound with molecular formula C14H18O4 and molecular weight 250.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hexan-3-yloxycarbonylbenzoic acid
Also Known As: 2-hexan-3-yloxycarbonylbenzoic acid, mono(1-Ethylbutyl) Phthalate, 1,2-Benzenedicarboxylic acid, mono(1-ethylbutyl) ester, 2-((hexan-3-yloxy)carbonyl)benzoic acid, 2-{[(Hexan-3-yl)oxy]carbonyl}benzoic acid
| Molecular Formula | C14H18O4 |
|---|---|
| Molecular Weight | 250.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 250.12051 |
| Heavy Atoms | 18 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 84489-34-9 |
|---|---|
| SMILES | CCCC(CC)OC(=O)C1=CC=CC=C1C(=O)O |
| InChIKey | ABYCGAKJMGFSPY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Benzenedicarboxylic acid, mono(1-ethylbutyl) ester (CAS 84489-34-9), with molecular formula C14H18O4 and molecular weight 250.12 g/mol. IUPAC: 2-hexan-3-yloxycarbonylbenzoic acid.
Chemical Property Profile of 1,2-Benzenedicarboxylic acid, mono(1-ethylbutyl) ester
Property Insights of 1,2-Benzenedicarboxylic acid, mono(1-ethylbutyl) ester
The XLogP value of 3.3 indicates that 1,2-Benzenedicarboxylic acid, mono(1-ethylbutyl) 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, mono(1-ethylbutyl) ester. Following Lipinski's Rule of Five, 1,2-Benzenedicarboxylic acid, mono(1-ethylbutyl) ester has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2-Benzenedicarboxylic acid, mono(1-ethylbutyl) ester?
The CAS number of 1,2-Benzenedicarboxylic acid, mono(1-ethylbutyl) ester is 84489-34-9.
What is the molecular formula of 1,2-Benzenedicarboxylic acid, mono(1-ethylbutyl) ester?
The molecular formula of 1,2-Benzenedicarboxylic acid, mono(1-ethylbutyl) ester is C14H18O4.
What is the molecular weight of 1,2-Benzenedicarboxylic acid, mono(1-ethylbutyl) ester?
The molecular weight of 1,2-Benzenedicarboxylic acid, mono(1-ethylbutyl) ester is 250.12 g/mol.
Where can I buy 1,2-Benzenedicarboxylic acid, mono(1-ethylbutyl) ester?
You can request a quote for 1,2-Benzenedicarboxylic acid, mono(1-ethylbutyl) 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, mono(1-ethylbutyl) ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenedicarboxylic acid, mono(1-ethylbutyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.