1,3-Benzenedicarboxylic acid, polymer with 2,2-dimethyl-1,3-propanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, hexanedioic acid and 1,3-isobenzofurandione, benzoate
TL;DR: 1,3-Benzenedicarboxylic acid, polymer with 2,2-dimethyl-1,3-propanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, hexanedioic acid and 1,3-isobenzofurandione, benzoate (CAS 90326-93-5) is a chemical compound with molecular formula C40H52O18 and molecular weight 820.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzene-1,3-dicarboxylic acid;2-benzofuran-1,3-dione;benzoic acid;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid
Also Known As: 1,3-Benzenedicarboxylic acid, polymer with 2,2-dimethyl-1,3-propanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, hexanedioic acid and 1,3-isobenzofurandione, benzoate, (C8-H6-O4.C8-H4-O3.C6-H14-O3.C6-H10-O4.C5-H12-O2)x-.x-C7-H6-O2, benzene-1,3-dicarboxylic acid; 2-benzofuran-1,3-dione; benzoic acid; 2,2-dimethylpropane-1,3-diol; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid
| Molecular Formula | C40H52O18 |
|---|---|
| Molecular Weight | 820.32 g/mol |
| LogP | 3.5379 |
| Topological Polar Surface Area | 331.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 14 |
| Exact Mass | 820.31537 |
| Heavy Atoms | 58 |
| Complexity | 688.0 |
Chemical Identifiers
| CAS Number | 90326-93-5 |
|---|---|
| SMILES | CCC(CO)(CO)CO.CC(C)(CO)CO.C1=CC=C(C=C1)C(=O)O.C1=CC=C2C(=C1)C(=O)OC2=O.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C(CCC(=O)O)CC(=O)O |
| InChIKey | GAIWXJHMFHEPMV-UHFFFAOYSA-N |
Product Overview
1,3-Benzenedicarboxylic acid, polymer with 2,2-dimethyl-1,3-propanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, hexanedioic acid and 1,3-isobenzofurandione, benzoate (CAS 90326-93-5), with molecular formula C40H52O18 and molecular weight 820.32 g/mol. IUPAC: benzene-1,3-dicarboxylic acid;2-benzofuran-1,3-dione;benzoic acid;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid.
Chemical Property Profile of 1,3-Benzenedicarboxylic acid, polymer with 2,2-dimethyl-1,3-propanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, hexanedioic acid and 1,3-isobenzofurandione, benzoate
Property Insights of 1,3-Benzenedicarboxylic acid, polymer with 2,2-dimethyl-1,3-propanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, hexanedioic acid and 1,3-isobenzofurandione, benzoate
The XLogP value of 3.5379 indicates that 1,3-Benzenedicarboxylic acid, polymer with 2,2-dimethyl-1,3-propanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, hexanedioic acid and 1,3-isobenzofurandione, benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 331.0 Ų indicates high polarity, suggesting 1,3-Benzenedicarboxylic acid, polymer with 2,2-dimethyl-1,3-propanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, hexanedioic acid and 1,3-isobenzofurandione, benzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3-Benzenedicarboxylic acid, polymer with 2,2-dimethyl-1,3-propanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, hexanedioic acid and 1,3-isobenzofurandione, benzoate has 10 hydrogen bond donor(s) and 18 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 2,2-dimethyl-1,3-propanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, hexanedioic acid and 1,3-isobenzofurandione, benzoate?
The CAS number of 1,3-Benzenedicarboxylic acid, polymer with 2,2-dimethyl-1,3-propanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, hexanedioic acid and 1,3-isobenzofurandione, benzoate is 90326-93-5.
What is the molecular formula of 1,3-Benzenedicarboxylic acid, polymer with 2,2-dimethyl-1,3-propanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, hexanedioic acid and 1,3-isobenzofurandione, benzoate?
The molecular formula of 1,3-Benzenedicarboxylic acid, polymer with 2,2-dimethyl-1,3-propanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, hexanedioic acid and 1,3-isobenzofurandione, benzoate is C40H52O18.
What is the molecular weight of 1,3-Benzenedicarboxylic acid, polymer with 2,2-dimethyl-1,3-propanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, hexanedioic acid and 1,3-isobenzofurandione, benzoate?
The molecular weight of 1,3-Benzenedicarboxylic acid, polymer with 2,2-dimethyl-1,3-propanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, hexanedioic acid and 1,3-isobenzofurandione, benzoate is 820.32 g/mol.
Where can I buy 1,3-Benzenedicarboxylic acid, polymer with 2,2-dimethyl-1,3-propanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, hexanedioic acid and 1,3-isobenzofurandione, benzoate?
You can request a quote for 1,3-Benzenedicarboxylic acid, polymer with 2,2-dimethyl-1,3-propanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, hexanedioic acid and 1,3-isobenzofurandione, benzoate 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 2,2-dimethyl-1,3-propanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, hexanedioic acid and 1,3-isobenzofurandione, benzoate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenedicarboxylic acid, polymer with 2,2-dimethyl-1,3-propanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, hexanedioic acid and 1,3-isobenzofurandione, benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.