1,3-Benzenedicarboxylic acid, polymer with 1,4-benzenedicarboxylic acid, 1,3-dihydro-1,3-dioxo-5-isobenzofurancarboxylic acid, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol and hexanedioic acid
TL;DR: 1,3-Benzenedicarboxylic acid, polymer with 1,4-benzenedicarboxylic acid, 1,3-dihydro-1,3-dioxo-5-isobenzofurancarboxylic acid, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol and hexanedioic acid (CAS 103470-94-6) is a chemical compound with molecular formula C38H44O21 and molecular weight 836.24 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;1,3-dioxo-2-benzofuran-5-carboxylic acid;ethane-1,2-diol;hexanedioic acid;terephthalic acid
Also Known As: 1,3-Benzenedicarboxylic acid, polymer with 1,4-benzenedicarboxylic acid, 1,3-dihydro-1,3-dioxo-5-isobenzofurancarboxylic acid, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol and hexanedioic acid, benzene-1,3-dicarboxylic acid; benzene-1,4-dicarboxylic acid; 2,2-dimethylpropane-1,3-diol; 1,3-dioxoisobenzofuran-5-carboxylic acid; ethane-1,2-diol; hexanedioic acid, benzene-1,3-dicarboxylic acid;2,2-dimethylpropane-1,3-diol;1,3-dioxo-2-benzofuran-5-carboxylic acid;ethane-1,2-diol;hexanedioic acid;terephthalic acid, (C9-H4-O5.C8-H6-O4.C8-H6-O4.C6-H10-O4.C5-H12-O2.C2-H6-O2)x-, benzene-1,3-dicarboxylic acid; 2,2-dimethylpropane-1,3-diol; 1,3-dioxo-2-benzofuran-5-carboxylic acid; ethane-1,2-diol; hexanedioic acid; terephthalic acid
| Molecular Formula | C38H44O21 |
|---|---|
| Molecular Weight | 836.24 g/mol |
| LogP | 2.5456 |
| Topological Polar Surface Area | 385.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 13 |
| Exact Mass | 836.2375 |
| Heavy Atoms | 59 |
| Complexity | 821.0 |
Chemical Identifiers
| CAS Number | 103470-94-6 |
|---|---|
| SMILES | CC(C)(CO)CO.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC(=CC=C1C(=O)O)C(=O)O.C1=CC2=C(C=C1C(=O)O)C(=O)OC2=O.C(CCC(=O)O)CC(=O)O.C(CO)O |
| InChIKey | CPKIOVYKYCYUJQ-UHFFFAOYSA-N |
Product Overview
1,3-Benzenedicarboxylic acid, polymer with 1,4-benzenedicarboxylic acid, 1,3-dihydro-1,3-dioxo-5-isobenzofurancarboxylic acid, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol and hexanedioic acid (CAS 103470-94-6), with molecular formula C38H44O21 and molecular weight 836.24 g/mol. IUPAC: benzene-1,3-dicarboxylic acid;2,2-dimethylpropane-1,3-diol;1,3-dioxo-2-benzofuran-5-carboxylic acid;ethane-1,2-diol;hexanedioic acid;terephthalic acid.
Chemical Property Profile of 1,3-Benzenedicarboxylic acid, polymer with 1,4-benzenedicarboxylic acid, 1,3-dihydro-1,3-dioxo-5-isobenzofurancarboxylic acid, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol and hexanedioic acid
Property Insights of 1,3-Benzenedicarboxylic acid, polymer with 1,4-benzenedicarboxylic acid, 1,3-dihydro-1,3-dioxo-5-isobenzofurancarboxylic acid, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol and hexanedioic acid
The XLogP value of 2.5456 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzenedicarboxylic acid, polymer with 1,4-benzenedicarboxylic acid, 1,3-dihydro-1,3-dioxo-5-isobenzofurancarboxylic acid, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol and hexanedioic acid. The TPSA of 385.0 Ų indicates high polarity, suggesting 1,3-Benzenedicarboxylic acid, polymer with 1,4-benzenedicarboxylic acid, 1,3-dihydro-1,3-dioxo-5-isobenzofurancarboxylic acid, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol 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, 1,3-dihydro-1,3-dioxo-5-isobenzofurancarboxylic acid, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol and hexanedioic acid has 11 hydrogen bond donor(s) and 21 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, 1,3-dihydro-1,3-dioxo-5-isobenzofurancarboxylic acid, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol and hexanedioic acid?
The CAS number of 1,3-Benzenedicarboxylic acid, polymer with 1,4-benzenedicarboxylic acid, 1,3-dihydro-1,3-dioxo-5-isobenzofurancarboxylic acid, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol and hexanedioic acid is 103470-94-6.
What is the molecular formula of 1,3-Benzenedicarboxylic acid, polymer with 1,4-benzenedicarboxylic acid, 1,3-dihydro-1,3-dioxo-5-isobenzofurancarboxylic acid, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol and hexanedioic acid?
The molecular formula of 1,3-Benzenedicarboxylic acid, polymer with 1,4-benzenedicarboxylic acid, 1,3-dihydro-1,3-dioxo-5-isobenzofurancarboxylic acid, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol and hexanedioic acid is C38H44O21.
What is the molecular weight of 1,3-Benzenedicarboxylic acid, polymer with 1,4-benzenedicarboxylic acid, 1,3-dihydro-1,3-dioxo-5-isobenzofurancarboxylic acid, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol and hexanedioic acid?
The molecular weight of 1,3-Benzenedicarboxylic acid, polymer with 1,4-benzenedicarboxylic acid, 1,3-dihydro-1,3-dioxo-5-isobenzofurancarboxylic acid, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol and hexanedioic acid is 836.24 g/mol.
Where can I buy 1,3-Benzenedicarboxylic acid, polymer with 1,4-benzenedicarboxylic acid, 1,3-dihydro-1,3-dioxo-5-isobenzofurancarboxylic acid, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol and hexanedioic acid?
You can request a quote for 1,3-Benzenedicarboxylic acid, polymer with 1,4-benzenedicarboxylic acid, 1,3-dihydro-1,3-dioxo-5-isobenzofurancarboxylic acid, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol 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, 1,3-dihydro-1,3-dioxo-5-isobenzofurancarboxylic acid, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol and hexanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenedicarboxylic acid, polymer with 1,4-benzenedicarboxylic acid, 1,3-dihydro-1,3-dioxo-5-isobenzofurancarboxylic acid, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol and hexanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.