1,2-Benzenedicarboxylic acid, mono(2-ethyl-4,6-dihydroxyhexyl) ester
TL;DR: 1,2-Benzenedicarboxylic acid, mono(2-ethyl-4,6-dihydroxyhexyl) ester (CAS 88144-79-0) is a chemical compound with molecular formula C16H22O6 and molecular weight 310.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-ethyl-4,6-dihydroxyhexoxy)carbonylbenzoic acid
Also Known As: 1,2-Benzenedicarboxylic acid, mono(2-ethyl-4,6-dihydroxyhexyl) ester, 2-(2-ethyl-4,6-dihydroxy-hexoxy)carbonylbenzoic Acid, 2-(2-ethyl-4,6-dihydroxyhexoxy)carbonylbenzoic acid, 2-{[(2-ETHYL-4,6-DIHYDROXYHEXYL)OXY]CARBONYL}BENZOIC ACID, 1,2-Benzenedicarboxylicacid, mono(2-ethyl-4,6-dihydroxyhexyl) ester (9CI)
| Molecular Formula | C16H22O6 |
|---|---|
| Molecular Weight | 310.14 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 310.14163 |
| Heavy Atoms | 22 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 88144-79-0 |
|---|---|
| SMILES | CCC(CC(CCO)O)COC(=O)C1=CC=CC=C1C(=O)O |
| InChIKey | RCFWMIXHVSJFMI-UHFFFAOYSA-N |
Product Overview
1,2-Benzenedicarboxylic acid, mono(2-ethyl-4,6-dihydroxyhexyl) ester (CAS 88144-79-0), with molecular formula C16H22O6 and molecular weight 310.14 g/mol. IUPAC: 2-(2-ethyl-4,6-dihydroxyhexoxy)carbonylbenzoic acid.
Chemical Property Profile of 1,2-Benzenedicarboxylic acid, mono(2-ethyl-4,6-dihydroxyhexyl) ester
Property Insights of 1,2-Benzenedicarboxylic acid, mono(2-ethyl-4,6-dihydroxyhexyl) ester
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzenedicarboxylic acid, mono(2-ethyl-4,6-dihydroxyhexyl) ester. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzenedicarboxylic acid, mono(2-ethyl-4,6-dihydroxyhexyl) ester. Following Lipinski's Rule of Five, 1,2-Benzenedicarboxylic acid, mono(2-ethyl-4,6-dihydroxyhexyl) ester has 3 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, mono(2-ethyl-4,6-dihydroxyhexyl) ester?
The CAS number of 1,2-Benzenedicarboxylic acid, mono(2-ethyl-4,6-dihydroxyhexyl) ester is 88144-79-0.
What is the molecular formula of 1,2-Benzenedicarboxylic acid, mono(2-ethyl-4,6-dihydroxyhexyl) ester?
The molecular formula of 1,2-Benzenedicarboxylic acid, mono(2-ethyl-4,6-dihydroxyhexyl) ester is C16H22O6.
What is the molecular weight of 1,2-Benzenedicarboxylic acid, mono(2-ethyl-4,6-dihydroxyhexyl) ester?
The molecular weight of 1,2-Benzenedicarboxylic acid, mono(2-ethyl-4,6-dihydroxyhexyl) ester is 310.14 g/mol.
Where can I buy 1,2-Benzenedicarboxylic acid, mono(2-ethyl-4,6-dihydroxyhexyl) ester?
You can request a quote for 1,2-Benzenedicarboxylic acid, mono(2-ethyl-4,6-dihydroxyhexyl) 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(2-ethyl-4,6-dihydroxyhexyl) ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenedicarboxylic acid, mono(2-ethyl-4,6-dihydroxyhexyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.