Benzene-1,3-dicarboxylic acid;2,2-dimethylpropane-1,3-diol;terephthalic acid
TL;DR: Benzene-1,3-dicarboxylic acid;2,2-dimethylpropane-1,3-diol;terephthalic acid (CAS 29880-63-5) is a chemical compound with molecular formula C21H24O10 and molecular weight 436.14 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;terephthalic acid
Also Known As: (C8-H6-O4.C8-H6-O4.C5-H12-O2)x-, 2,2-dimethylpropane-1,3-diol; isophthalic acid; terephthalic acid, 1,3-Benzenedicarboxylic acid, polymer with 1,4-benzenedicarboxylic acid and 2,2-dimethyl-1,3-propanediol, 1,3-Benzenedicarboxylic acid, polymer with 1,4-dicarboxylic acid and 2,2-dimethyl-1,3-propanediol, benzene-1,3-dicarboxylic acid; 2,2-dimethylpropane-1,3-diol; terephthalic acid
| Molecular Formula | C21H24O10 |
|---|---|
| Molecular Weight | 436.14 g/mol |
| LogP | 2.1632 |
| Topological Polar Surface Area | 190.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 436.13693 |
| Heavy Atoms | 31 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 29880-63-5 |
|---|---|
| SMILES | CC(C)(CO)CO.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC(=CC=C1C(=O)O)C(=O)O |
| InChIKey | YMPNIJDQYQSALR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene-1,3-dicarboxylic acid;2,2-dimethylpropane-1,3-diol;terephthalic acid (CAS 29880-63-5), with molecular formula C21H24O10 and molecular weight 436.14 g/mol. IUPAC: benzene-1,3-dicarboxylic acid;2,2-dimethylpropane-1,3-diol;terephthalic acid.
Chemical Property Profile of Benzene-1,3-dicarboxylic acid;2,2-dimethylpropane-1,3-diol;terephthalic acid
Property Insights of Benzene-1,3-dicarboxylic acid;2,2-dimethylpropane-1,3-diol;terephthalic acid
The XLogP value of 2.1632 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene-1,3-dicarboxylic acid;2,2-dimethylpropane-1,3-diol;terephthalic acid. The TPSA of 190.0 Ų indicates high polarity, suggesting Benzene-1,3-dicarboxylic acid;2,2-dimethylpropane-1,3-diol;terephthalic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzene-1,3-dicarboxylic acid;2,2-dimethylpropane-1,3-diol;terephthalic acid has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzene-1,3-dicarboxylic acid;2,2-dimethylpropane-1,3-diol;terephthalic acid?
The CAS number of Benzene-1,3-dicarboxylic acid;2,2-dimethylpropane-1,3-diol;terephthalic acid is 29880-63-5.
What is the molecular formula of Benzene-1,3-dicarboxylic acid;2,2-dimethylpropane-1,3-diol;terephthalic acid?
The molecular formula of Benzene-1,3-dicarboxylic acid;2,2-dimethylpropane-1,3-diol;terephthalic acid is C21H24O10.
What is the molecular weight of Benzene-1,3-dicarboxylic acid;2,2-dimethylpropane-1,3-diol;terephthalic acid?
The molecular weight of Benzene-1,3-dicarboxylic acid;2,2-dimethylpropane-1,3-diol;terephthalic acid is 436.14 g/mol.
Where can I buy Benzene-1,3-dicarboxylic acid;2,2-dimethylpropane-1,3-diol;terephthalic acid?
You can request a quote for Benzene-1,3-dicarboxylic acid;2,2-dimethylpropane-1,3-diol;terephthalic acid 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;2,2-dimethylpropane-1,3-diol;terephthalic acid?
Yes, KEHONG BIO provides custom synthesis services for Benzene-1,3-dicarboxylic acid;2,2-dimethylpropane-1,3-diol;terephthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.