Benzene-1,3-dicarboxylic acid;dimethyl benzene-1,4-dicarboxylate;ethane-1,2-diol
TL;DR: Benzene-1,3-dicarboxylic acid;dimethyl benzene-1,4-dicarboxylate;ethane-1,2-diol (CAS 313673-89-1) is a chemical compound with molecular formula C20H22O10 and molecular weight 422.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzene-1,3-dicarboxylic acid;dimethyl benzene-1,4-dicarboxylate;ethane-1,2-diol
Also Known As: (C10-H10-O4.C8-H6-O4.C2-H6-O2)x-, 1,3-Benzenedicarboxylic acid, polymer with dimethyl 1,4-benzenedicarboxylate and 1,2-ethanediol, dimethyl benzene-1,4-dicarboxylate; ethylene glycol; isophthalic acid, 1,4-Benzenedicarboxylic acid, dimethyl ester, 1,3-benzenedicarboxylic acid, 1,2-ethanediol polymer, POLY(DIMETHYL TEREPHTHALATE-CO-ETHYLENE GLYCOL-CO-ISOPHTHALIC ACID)
| Molecular Formula | C20H22O10 |
|---|---|
| Molecular Weight | 422.12 g/mol |
| LogP | 1.3138 |
| Topological Polar Surface Area | 168.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 422.1213 |
| Heavy Atoms | 30 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 313673-89-1 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C(=O)OC.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C(CO)O |
| InChIKey | NLGMKUUJPDKCLK-UHFFFAOYSA-N |
Product Overview
Benzene-1,3-dicarboxylic acid;dimethyl benzene-1,4-dicarboxylate;ethane-1,2-diol (CAS 313673-89-1), with molecular formula C20H22O10 and molecular weight 422.12 g/mol. IUPAC: benzene-1,3-dicarboxylic acid;dimethyl benzene-1,4-dicarboxylate;ethane-1,2-diol.
Chemical Property Profile of Benzene-1,3-dicarboxylic acid;dimethyl benzene-1,4-dicarboxylate;ethane-1,2-diol
Property Insights of Benzene-1,3-dicarboxylic acid;dimethyl benzene-1,4-dicarboxylate;ethane-1,2-diol
The XLogP value of 1.3138 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene-1,3-dicarboxylic acid;dimethyl benzene-1,4-dicarboxylate;ethane-1,2-diol. The TPSA of 168.0 Ų indicates high polarity, suggesting Benzene-1,3-dicarboxylic acid;dimethyl benzene-1,4-dicarboxylate;ethane-1,2-diol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzene-1,3-dicarboxylic acid;dimethyl benzene-1,4-dicarboxylate;ethane-1,2-diol has 4 hydrogen bond donor(s) and 10 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 Benzene-1,3-dicarboxylic acid;dimethyl benzene-1,4-dicarboxylate;ethane-1,2-diol?
The CAS number of Benzene-1,3-dicarboxylic acid;dimethyl benzene-1,4-dicarboxylate;ethane-1,2-diol is 313673-89-1.
What is the molecular formula of Benzene-1,3-dicarboxylic acid;dimethyl benzene-1,4-dicarboxylate;ethane-1,2-diol?
The molecular formula of Benzene-1,3-dicarboxylic acid;dimethyl benzene-1,4-dicarboxylate;ethane-1,2-diol is C20H22O10.
What is the molecular weight of Benzene-1,3-dicarboxylic acid;dimethyl benzene-1,4-dicarboxylate;ethane-1,2-diol?
The molecular weight of Benzene-1,3-dicarboxylic acid;dimethyl benzene-1,4-dicarboxylate;ethane-1,2-diol is 422.12 g/mol.
Where can I buy Benzene-1,3-dicarboxylic acid;dimethyl benzene-1,4-dicarboxylate;ethane-1,2-diol?
You can request a quote for Benzene-1,3-dicarboxylic acid;dimethyl benzene-1,4-dicarboxylate;ethane-1,2-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene-1,3-dicarboxylic acid;dimethyl benzene-1,4-dicarboxylate;ethane-1,2-diol?
Yes, KEHONG BIO provides custom synthesis services for Benzene-1,3-dicarboxylic acid;dimethyl benzene-1,4-dicarboxylate;ethane-1,2-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.