2-(2-hydroxyethyl)hexyl Methyl Benzene-1,2-dicarboxylate
TL;DR: 2-(2-hydroxyethyl)hexyl Methyl Benzene-1,2-dicarboxylate (CAS 76644-68-3) is a chemical compound with molecular formula C17H24O5 and molecular weight 308.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-[2-(2-hydroxyethyl)hexyl] 1-O-methyl benzene-1,2-dicarboxylate
Also Known As: 2-(2-hydroxyethyl)hexyl Methyl Benzene-1,2-dicarboxylate, 2-O-[2-(2-hydroxyethyl)hexyl] 1-O-methyl benzene-1,2-dicarboxylate, Benzene-1,2-dicarboxylic acid, 2-(2-hydroxyethyl)hexyl methyl ester
| Molecular Formula | C17H24O5 |
|---|---|
| Molecular Weight | 308.16 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 308.16238 |
| Heavy Atoms | 22 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 76644-68-3 |
|---|---|
| SMILES | CCCCC(CCO)COC(=O)C1=CC=CC=C1C(=O)OC |
| InChIKey | MZFQCAIYELUNRI-UHFFFAOYSA-N |
Product Overview
2-(2-hydroxyethyl)hexyl Methyl Benzene-1,2-dicarboxylate (CAS 76644-68-3), with molecular formula C17H24O5 and molecular weight 308.16 g/mol. IUPAC: 2-O-[2-(2-hydroxyethyl)hexyl] 1-O-methyl benzene-1,2-dicarboxylate.
Chemical Property Profile of 2-(2-hydroxyethyl)hexyl Methyl Benzene-1,2-dicarboxylate
Property Insights of 2-(2-hydroxyethyl)hexyl Methyl Benzene-1,2-dicarboxylate
The XLogP value of 3.1 indicates that 2-(2-hydroxyethyl)hexyl Methyl Benzene-1,2-dicarboxylate 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 2-(2-hydroxyethyl)hexyl Methyl Benzene-1,2-dicarboxylate. Following Lipinski's Rule of Five, 2-(2-hydroxyethyl)hexyl Methyl Benzene-1,2-dicarboxylate 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 2-(2-hydroxyethyl)hexyl Methyl Benzene-1,2-dicarboxylate?
The CAS number of 2-(2-hydroxyethyl)hexyl Methyl Benzene-1,2-dicarboxylate is 76644-68-3.
What is the molecular formula of 2-(2-hydroxyethyl)hexyl Methyl Benzene-1,2-dicarboxylate?
The molecular formula of 2-(2-hydroxyethyl)hexyl Methyl Benzene-1,2-dicarboxylate is C17H24O5.
What is the molecular weight of 2-(2-hydroxyethyl)hexyl Methyl Benzene-1,2-dicarboxylate?
The molecular weight of 2-(2-hydroxyethyl)hexyl Methyl Benzene-1,2-dicarboxylate is 308.16 g/mol.
Where can I buy 2-(2-hydroxyethyl)hexyl Methyl Benzene-1,2-dicarboxylate?
You can request a quote for 2-(2-hydroxyethyl)hexyl Methyl Benzene-1,2-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-hydroxyethyl)hexyl Methyl Benzene-1,2-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-hydroxyethyl)hexyl Methyl Benzene-1,2-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.