1,2,4,5-Benzenetetracarboxylic acid, 1,5-dimethyl ester
TL;DR: 1,2,4,5-Benzenetetracarboxylic acid, 1,5-dimethyl ester (CAS 28132-03-8) is a chemical compound with molecular formula C12H10O8 and molecular weight 282.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-bis(methoxycarbonyl)benzene-1,3-dicarboxylic acid
Also Known As: dimethyl dihydrogen pyromellitate, 4,6-bis(methoxycarbonyl)isophthalic acid, 4,6-bis(methoxycarbonyl)benzene-1,3-dicarboxylic acid, 1,2,4,5-Benzenetetracarboxylic acid, 1,5-dimethyl ester, 1,3-dicarbomethoxy 4,6-benzenedicarboxylic acid
| Molecular Formula | C12H10O8 |
|---|---|
| Molecular Weight | 282.04 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 282.03757 |
| Heavy Atoms | 20 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 28132-03-8 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)OC |
| InChIKey | JKXWQZNEVLDPDM-UHFFFAOYSA-N |
Product Overview
1,2,4,5-Benzenetetracarboxylic acid, 1,5-dimethyl ester (CAS 28132-03-8), with molecular formula C12H10O8 and molecular weight 282.04 g/mol. IUPAC: 4,6-bis(methoxycarbonyl)benzene-1,3-dicarboxylic acid.
Chemical Property Profile of 1,2,4,5-Benzenetetracarboxylic acid, 1,5-dimethyl ester
Property Insights of 1,2,4,5-Benzenetetracarboxylic acid, 1,5-dimethyl ester
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4,5-Benzenetetracarboxylic acid, 1,5-dimethyl ester. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4,5-Benzenetetracarboxylic acid, 1,5-dimethyl ester. Following Lipinski's Rule of Five, 1,2,4,5-Benzenetetracarboxylic acid, 1,5-dimethyl ester has 2 hydrogen bond donor(s) and 8 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 1,2,4,5-Benzenetetracarboxylic acid, 1,5-dimethyl ester?
The CAS number of 1,2,4,5-Benzenetetracarboxylic acid, 1,5-dimethyl ester is 28132-03-8.
What is the molecular formula of 1,2,4,5-Benzenetetracarboxylic acid, 1,5-dimethyl ester?
The molecular formula of 1,2,4,5-Benzenetetracarboxylic acid, 1,5-dimethyl ester is C12H10O8.
What is the molecular weight of 1,2,4,5-Benzenetetracarboxylic acid, 1,5-dimethyl ester?
The molecular weight of 1,2,4,5-Benzenetetracarboxylic acid, 1,5-dimethyl ester is 282.04 g/mol.
Where can I buy 1,2,4,5-Benzenetetracarboxylic acid, 1,5-dimethyl ester?
You can request a quote for 1,2,4,5-Benzenetetracarboxylic acid, 1,5-dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4,5-Benzenetetracarboxylic acid, 1,5-dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4,5-Benzenetetracarboxylic acid, 1,5-dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.