1,2-Benzenedicarboxylic acid, 2-(methoxycarbonyl)hexyl methyl ester
TL;DR: 1,2-Benzenedicarboxylic acid, 2-(methoxycarbonyl)hexyl methyl ester (CAS 76644-63-8) is a chemical compound with molecular formula C17H22O6 and molecular weight 322.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-(2-methoxycarbonylhexyl) 1-O-methyl benzene-1,2-dicarboxylate
Also Known As: 1,2-Benzenedicarboxylic acid, 2-(methoxycarbonyl)hexyl methyl ester, 2-methoxycarbonylhexyl Methyl Benzene-1,2-dicarboxylate, 2-(Methoxycarbonyl)hexyl methyl benzene-1,2-dicarboxylate, 2-O-(2-methoxycarbonylhexyl) 1-O-methyl benzene-1,2-dicarboxylate, 2-ethyl-4-methoxy-4-oxobutyl methyl benzene-1,2-dicarboxylate
| Molecular Formula | C17H22O6 |
|---|---|
| Molecular Weight | 322.14 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 322.14163 |
| Heavy Atoms | 23 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 76644-63-8 |
|---|---|
| SMILES | CCCCC(COC(=O)C1=CC=CC=C1C(=O)OC)C(=O)OC |
| InChIKey | BOHVBGWNGQQFBX-UHFFFAOYSA-N |
Product Overview
1,2-Benzenedicarboxylic acid, 2-(methoxycarbonyl)hexyl methyl ester (CAS 76644-63-8), with molecular formula C17H22O6 and molecular weight 322.14 g/mol. IUPAC: 2-O-(2-methoxycarbonylhexyl) 1-O-methyl benzene-1,2-dicarboxylate.
Chemical Property Profile of 1,2-Benzenedicarboxylic acid, 2-(methoxycarbonyl)hexyl methyl ester
Property Insights of 1,2-Benzenedicarboxylic acid, 2-(methoxycarbonyl)hexyl methyl ester
The XLogP value of 3.5 indicates that 1,2-Benzenedicarboxylic acid, 2-(methoxycarbonyl)hexyl methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzenedicarboxylic acid, 2-(methoxycarbonyl)hexyl methyl ester. Following Lipinski's Rule of Five, 1,2-Benzenedicarboxylic acid, 2-(methoxycarbonyl)hexyl methyl ester has 0 hydrogen bond donor(s) and 6 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, 2-(methoxycarbonyl)hexyl methyl ester?
The CAS number of 1,2-Benzenedicarboxylic acid, 2-(methoxycarbonyl)hexyl methyl ester is 76644-63-8.
What is the molecular formula of 1,2-Benzenedicarboxylic acid, 2-(methoxycarbonyl)hexyl methyl ester?
The molecular formula of 1,2-Benzenedicarboxylic acid, 2-(methoxycarbonyl)hexyl methyl ester is C17H22O6.
What is the molecular weight of 1,2-Benzenedicarboxylic acid, 2-(methoxycarbonyl)hexyl methyl ester?
The molecular weight of 1,2-Benzenedicarboxylic acid, 2-(methoxycarbonyl)hexyl methyl ester is 322.14 g/mol.
Where can I buy 1,2-Benzenedicarboxylic acid, 2-(methoxycarbonyl)hexyl methyl ester?
You can request a quote for 1,2-Benzenedicarboxylic acid, 2-(methoxycarbonyl)hexyl methyl 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, 2-(methoxycarbonyl)hexyl methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenedicarboxylic acid, 2-(methoxycarbonyl)hexyl methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.