Benzene-1,4-dicarboxylic acid--2,2-dimethylpropane-1,3-diol (1/1)
TL;DR: Benzene-1,4-dicarboxylic acid--2,2-dimethylpropane-1,3-diol (1/1) (CAS 32081-34-8) is a chemical compound with molecular formula C13H18O6 and molecular weight 270.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylpropane-1,3-diol;terephthalic acid
Also Known As: (C8-H6-O4.C5-H12-O2)x-, 2,2-dimethylpropane-1,3-diol; terephthalic acid, 1,4-Benzenedicarboxylic acid, polymer with 2,2-dimethyl-1,3-propanediol, benzene-1,4-dicarboxylic acid- 2,2-dimethylpropane-1,3-diol(1:1), Benzene-1,4-dicarboxylic acid--2,2-dimethylpropane-1,3-diol (1/1)
| Molecular Formula | C13H18O6 |
|---|---|
| Molecular Weight | 270.11 g/mol |
| LogP | 1.0802 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 270.11035 |
| Heavy Atoms | 19 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 32081-34-8 |
|---|---|
| SMILES | CC(C)(CO)CO.C1=CC(=CC=C1C(=O)O)C(=O)O |
| InChIKey | IMJICWAXKLDGAL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene-1,4-dicarboxylic acid--2,2-dimethylpropane-1,3-diol (1/1) (CAS 32081-34-8), with molecular formula C13H18O6 and molecular weight 270.11 g/mol. IUPAC: 2,2-dimethylpropane-1,3-diol;terephthalic acid.
Chemical Property Profile of Benzene-1,4-dicarboxylic acid--2,2-dimethylpropane-1,3-diol (1/1)
Property Insights of Benzene-1,4-dicarboxylic acid--2,2-dimethylpropane-1,3-diol (1/1)
The XLogP value of 1.0802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene-1,4-dicarboxylic acid--2,2-dimethylpropane-1,3-diol (1/1). The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzene-1,4-dicarboxylic acid--2,2-dimethylpropane-1,3-diol (1/1). Following Lipinski's Rule of Five, Benzene-1,4-dicarboxylic acid--2,2-dimethylpropane-1,3-diol (1/1) has 4 hydrogen bond donor(s) and 6 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-1,4-dicarboxylic acid--2,2-dimethylpropane-1,3-diol (1/1)?
The CAS number of Benzene-1,4-dicarboxylic acid--2,2-dimethylpropane-1,3-diol (1/1) is 32081-34-8.
What is the molecular formula of Benzene-1,4-dicarboxylic acid--2,2-dimethylpropane-1,3-diol (1/1)?
The molecular formula of Benzene-1,4-dicarboxylic acid--2,2-dimethylpropane-1,3-diol (1/1) is C13H18O6.
What is the molecular weight of Benzene-1,4-dicarboxylic acid--2,2-dimethylpropane-1,3-diol (1/1)?
The molecular weight of Benzene-1,4-dicarboxylic acid--2,2-dimethylpropane-1,3-diol (1/1) is 270.11 g/mol.
Where can I buy Benzene-1,4-dicarboxylic acid--2,2-dimethylpropane-1,3-diol (1/1)?
You can request a quote for Benzene-1,4-dicarboxylic acid--2,2-dimethylpropane-1,3-diol (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene-1,4-dicarboxylic acid--2,2-dimethylpropane-1,3-diol (1/1)?
Yes, KEHONG BIO provides custom synthesis services for Benzene-1,4-dicarboxylic acid--2,2-dimethylpropane-1,3-diol (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.