1,3-Benzenedicarboxylic acid, polymer with 1,4-benzenedicarboxylic acid, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol and hexanedioic acid
TL;DR: 1,3-Benzenedicarboxylic acid, polymer with 1,4-benzenedicarboxylic acid, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol and hexanedioic acid (CAS 90144-49-3) is a chemical compound with molecular formula C35H54O19 and molecular weight 778.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzene-1,3-dicarboxylic acid;2,2-dimethylpropane-1,3-diol;ethane-1,2-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;terephthalic acid
Also Known As: 1,3-Benzenedicarboxylic acid, polymer with 1,4-benzenedicarboxylic acid, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol and hexanedioic acid, benzene-1,3-dicarboxylic acid; 2,2-dimethylpropane-1,3-diol; ethane-1,2-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; terephthalic acid, (C8-H6-O4.C8-H6-O4.C6-H14-O3.C6-H10-O4.C5-H12-O2.C2-H6-O2)x-
| Molecular Formula | C35H54O19 |
|---|---|
| Molecular Weight | 778.33 g/mol |
| LogP | 1.2099 |
| Topological Polar Surface Area | 365.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 16 |
| Exact Mass | 778.3259 |
| Heavy Atoms | 54 |
| Complexity | 573.0 |
Chemical Identifiers
| CAS Number | 90144-49-3 |
|---|---|
| SMILES | CCC(CO)(CO)CO.CC(C)(CO)CO.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC(=CC=C1C(=O)O)C(=O)O.C(CCC(=O)O)CC(=O)O.C(CO)O |
| InChIKey | MEFFZZHVMBVDIX-UHFFFAOYSA-N |
Product Overview
1,3-Benzenedicarboxylic acid, polymer with 1,4-benzenedicarboxylic acid, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol and hexanedioic acid (CAS 90144-49-3), with molecular formula C35H54O19 and molecular weight 778.33 g/mol. IUPAC: benzene-1,3-dicarboxylic acid;2,2-dimethylpropane-1,3-diol;ethane-1,2-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;terephthalic acid.
Chemical Property Profile of 1,3-Benzenedicarboxylic acid, polymer with 1,4-benzenedicarboxylic acid, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol and hexanedioic acid
Property Insights of 1,3-Benzenedicarboxylic acid, polymer with 1,4-benzenedicarboxylic acid, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol and hexanedioic acid
The XLogP value of 1.2099 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzenedicarboxylic acid, polymer with 1,4-benzenedicarboxylic acid, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol and hexanedioic acid. The TPSA of 365.0 Ų indicates high polarity, suggesting 1,3-Benzenedicarboxylic acid, polymer with 1,4-benzenedicarboxylic acid, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol and hexanedioic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3-Benzenedicarboxylic acid, polymer with 1,4-benzenedicarboxylic acid, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol and hexanedioic acid has 13 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Benzenedicarboxylic acid, polymer with 1,4-benzenedicarboxylic acid, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol and hexanedioic acid?
The CAS number of 1,3-Benzenedicarboxylic acid, polymer with 1,4-benzenedicarboxylic acid, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol and hexanedioic acid is 90144-49-3.
What is the molecular formula of 1,3-Benzenedicarboxylic acid, polymer with 1,4-benzenedicarboxylic acid, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol and hexanedioic acid?
The molecular formula of 1,3-Benzenedicarboxylic acid, polymer with 1,4-benzenedicarboxylic acid, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol and hexanedioic acid is C35H54O19.
What is the molecular weight of 1,3-Benzenedicarboxylic acid, polymer with 1,4-benzenedicarboxylic acid, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol and hexanedioic acid?
The molecular weight of 1,3-Benzenedicarboxylic acid, polymer with 1,4-benzenedicarboxylic acid, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol and hexanedioic acid is 778.33 g/mol.
Where can I buy 1,3-Benzenedicarboxylic acid, polymer with 1,4-benzenedicarboxylic acid, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol and hexanedioic acid?
You can request a quote for 1,3-Benzenedicarboxylic acid, polymer with 1,4-benzenedicarboxylic acid, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol and hexanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzenedicarboxylic acid, polymer with 1,4-benzenedicarboxylic acid, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol and hexanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenedicarboxylic acid, polymer with 1,4-benzenedicarboxylic acid, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol and hexanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.