1,2-Benzenedicarboxylic acid, 1,2-ethanediyl ester
TL;DR: 1,2-Benzenedicarboxylic acid, 1,2-ethanediyl ester (CAS 7517-39-7) is a chemical compound with molecular formula C18H14O8 and molecular weight 358.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2-carboxybenzoyl)oxyethoxycarbonyl]benzoic acid
Also Known As: tri-2-methylalanine, 1,2-Bis(2-carboxybenzoyloxy)ethane, J2.582.553E, 1,2-Benzenedicarboxylic acid, 1,2-ethanediyl ester, 2-[2-(2-carboxybenzoyl)oxyethoxycarbonyl]benzoic Acid
| Molecular Formula | C18H14O8 |
|---|---|
| Molecular Weight | 358.07 g/mol |
| LogP | 2.0968 |
| Topological Polar Surface Area | 127.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 358.06888 |
| Heavy Atoms | 26 |
| Complexity | 784.27454 |
Chemical Identifiers
| CAS Number | 7517-39-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)C(=O)OCCOC(=O)C2=CC=CC=C2C(=O)O |
Product Overview
1,2-Benzenedicarboxylic acid, 1,2-ethanediyl ester (CAS 7517-39-7), with molecular formula C18H14O8 and molecular weight 358.07 g/mol. IUPAC: 2-[2-(2-carboxybenzoyl)oxyethoxycarbonyl]benzoic acid.
Chemical Property Profile of 1,2-Benzenedicarboxylic acid, 1,2-ethanediyl ester
Property Insights of 1,2-Benzenedicarboxylic acid, 1,2-ethanediyl ester
The XLogP value of 2.0968 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzenedicarboxylic acid, 1,2-ethanediyl ester. The TPSA of 127.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzenedicarboxylic acid, 1,2-ethanediyl ester. Following Lipinski's Rule of Five, 1,2-Benzenedicarboxylic acid, 1,2-ethanediyl ester has 2 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, 1,2-ethanediyl ester?
The CAS number of 1,2-Benzenedicarboxylic acid, 1,2-ethanediyl ester is 7517-39-7.
What is the molecular formula of 1,2-Benzenedicarboxylic acid, 1,2-ethanediyl ester?
The molecular formula of 1,2-Benzenedicarboxylic acid, 1,2-ethanediyl ester is C18H14O8.
What is the molecular weight of 1,2-Benzenedicarboxylic acid, 1,2-ethanediyl ester?
The molecular weight of 1,2-Benzenedicarboxylic acid, 1,2-ethanediyl ester is 358.07 g/mol.
Where can I buy 1,2-Benzenedicarboxylic acid, 1,2-ethanediyl ester?
You can request a quote for 1,2-Benzenedicarboxylic acid, 1,2-ethanediyl 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, 1,2-ethanediyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenedicarboxylic acid, 1,2-ethanediyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.