1,2-Benzenedicarboxylic acid, 2-ethyl-6-hydroxyhexyl methyl ester
TL;DR: 1,2-Benzenedicarboxylic acid, 2-ethyl-6-hydroxyhexyl methyl ester (CAS 76644-70-7) 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-ethyl-6-hydroxyhexyl) 1-O-methyl benzene-1,2-dicarboxylate
Also Known As: 2-Ethyl-6-hydroxyhexyl methyl benzene-1,2-dicarboxylate, 1,2-Benzenedicarboxylic acid, 2-ethyl-6-hydroxyhexyl methyl ester, (2-ethyl-6-hydroxy-hexyl) Methyl Benzene-1,2-dicarboxylate, 2-O-(2-ethyl-6-hydroxyhexyl) 1-O-methyl benzene-1,2-dicarboxylate, 1,2-Benzenedicarboxylicacid, 1-(2-ethyl-6-hydroxyhexyl) 2-methyl ester
| Molecular Formula | C17H24O5 |
|---|---|
| Molecular Weight | 308.16 g/mol |
| LogP | 2.7 |
| 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 | 76644-70-7 |
|---|---|
| SMILES | CCC(CCCCO)COC(=O)C1=CC=CC=C1C(=O)OC |
| InChIKey | DPVDUBDRSBIADR-UHFFFAOYSA-N |
Product Overview
1,2-Benzenedicarboxylic acid, 2-ethyl-6-hydroxyhexyl methyl ester (CAS 76644-70-7), with molecular formula C17H24O5 and molecular weight 308.16 g/mol. IUPAC: 2-O-(2-ethyl-6-hydroxyhexyl) 1-O-methyl benzene-1,2-dicarboxylate.
Chemical Property Profile of 1,2-Benzenedicarboxylic acid, 2-ethyl-6-hydroxyhexyl methyl ester
Property Insights of 1,2-Benzenedicarboxylic acid, 2-ethyl-6-hydroxyhexyl methyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzenedicarboxylic acid, 2-ethyl-6-hydroxyhexyl methyl ester. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzenedicarboxylic acid, 2-ethyl-6-hydroxyhexyl methyl ester. Following Lipinski's Rule of Five, 1,2-Benzenedicarboxylic acid, 2-ethyl-6-hydroxyhexyl methyl 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, 2-ethyl-6-hydroxyhexyl methyl ester?
The CAS number of 1,2-Benzenedicarboxylic acid, 2-ethyl-6-hydroxyhexyl methyl ester is 76644-70-7.
What is the molecular formula of 1,2-Benzenedicarboxylic acid, 2-ethyl-6-hydroxyhexyl methyl ester?
The molecular formula of 1,2-Benzenedicarboxylic acid, 2-ethyl-6-hydroxyhexyl methyl ester is C17H24O5.
What is the molecular weight of 1,2-Benzenedicarboxylic acid, 2-ethyl-6-hydroxyhexyl methyl ester?
The molecular weight of 1,2-Benzenedicarboxylic acid, 2-ethyl-6-hydroxyhexyl methyl ester is 308.16 g/mol.
Where can I buy 1,2-Benzenedicarboxylic acid, 2-ethyl-6-hydroxyhexyl methyl ester?
You can request a quote for 1,2-Benzenedicarboxylic acid, 2-ethyl-6-hydroxyhexyl 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-ethyl-6-hydroxyhexyl methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenedicarboxylic acid, 2-ethyl-6-hydroxyhexyl methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.