1,2-Benzenedicarboxylic acid, 4-hydroxybutyl propyl ester
TL;DR: 1,2-Benzenedicarboxylic acid, 4-hydroxybutyl propyl ester (CAS 79038-23-6) is a chemical compound with molecular formula C15H20O5 and molecular weight 280.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-(4-hydroxybutyl) 1-O-propyl benzene-1,2-dicarboxylate
Also Known As: 1,2-Benzenedicarboxylic acid, 4-hydroxybutyl propyl ester, 4-hydroxybutyl propyl benzene-1,2-dicarboxylate, 2-O-(4-hydroxybutyl) 1-O-propyl benzene-1,2-dicarboxylate
| Molecular Formula | C15H20O5 |
|---|---|
| Molecular Weight | 280.13 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 280.13107 |
| Heavy Atoms | 20 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 79038-23-6 |
|---|---|
| SMILES | CCCOC(=O)C1=CC=CC=C1C(=O)OCCCCO |
| InChIKey | AHLXJIZWPLOZCT-UHFFFAOYSA-N |
Product Overview
1,2-Benzenedicarboxylic acid, 4-hydroxybutyl propyl ester (CAS 79038-23-6), with molecular formula C15H20O5 and molecular weight 280.13 g/mol. IUPAC: 2-O-(4-hydroxybutyl) 1-O-propyl benzene-1,2-dicarboxylate.
Chemical Property Profile of 1,2-Benzenedicarboxylic acid, 4-hydroxybutyl propyl ester
Property Insights of 1,2-Benzenedicarboxylic acid, 4-hydroxybutyl propyl ester
The XLogP value of 3.1 indicates that 1,2-Benzenedicarboxylic acid, 4-hydroxybutyl propyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzenedicarboxylic acid, 4-hydroxybutyl propyl ester. Following Lipinski's Rule of Five, 1,2-Benzenedicarboxylic acid, 4-hydroxybutyl propyl ester has 1 hydrogen bond donor(s) and 5 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, 4-hydroxybutyl propyl ester?
The CAS number of 1,2-Benzenedicarboxylic acid, 4-hydroxybutyl propyl ester is 79038-23-6.
What is the molecular formula of 1,2-Benzenedicarboxylic acid, 4-hydroxybutyl propyl ester?
The molecular formula of 1,2-Benzenedicarboxylic acid, 4-hydroxybutyl propyl ester is C15H20O5.
What is the molecular weight of 1,2-Benzenedicarboxylic acid, 4-hydroxybutyl propyl ester?
The molecular weight of 1,2-Benzenedicarboxylic acid, 4-hydroxybutyl propyl ester is 280.13 g/mol.
Where can I buy 1,2-Benzenedicarboxylic acid, 4-hydroxybutyl propyl ester?
You can request a quote for 1,2-Benzenedicarboxylic acid, 4-hydroxybutyl propyl 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, 4-hydroxybutyl propyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenedicarboxylic acid, 4-hydroxybutyl propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.