Benzene-1,3-dicarboxylic acid--2,2,4-trimethylpentane-1,3-diol (1/1)
TL;DR: Benzene-1,3-dicarboxylic acid--2,2,4-trimethylpentane-1,3-diol (1/1) (CAS 63687-33-2) is a chemical compound with molecular formula C16H24O6 and molecular weight 312.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzene-1,3-dicarboxylic acid;2,2,4-trimethylpentane-1,3-diol
Also Known As: (C8-H18-O2.C8-H6-O4)x-, Isophthalic acid, 2,2,4-trimethyl-1,3-pentanediol polymer, 1,3-Benzenedicarboxylic acid, polymer with 2,2,4-trimethyl-1,3-pentanediol, benzene-1,3-dicarboxylic acid; 2,2,4-trimethylpentane-1,3-diol, Benzene-1,3-dicarboxylic acid--2,2,4-trimethylpentane-1,3-diol (1/1)
| Molecular Formula | C16H24O6 |
|---|---|
| Molecular Weight | 312.16 g/mol |
| LogP | 2.1048 |
| Topological Polar Surface Area | 115.06 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.1573 |
| Heavy Atoms | 22 |
| Complexity | 477.86243 |
Chemical Identifiers
| CAS Number | 63687-33-2 |
|---|---|
| SMILES | CC(C)C(C(C)(C)CO)O.C1=CC(=CC(=C1)C(=O)O)C(=O)O |
Product Overview
Benzene-1,3-dicarboxylic acid--2,2,4-trimethylpentane-1,3-diol (1/1) (CAS 63687-33-2), with molecular formula C16H24O6 and molecular weight 312.16 g/mol. IUPAC: benzene-1,3-dicarboxylic acid;2,2,4-trimethylpentane-1,3-diol.
Chemical Property Profile of Benzene-1,3-dicarboxylic acid--2,2,4-trimethylpentane-1,3-diol (1/1)
Property Insights of Benzene-1,3-dicarboxylic acid--2,2,4-trimethylpentane-1,3-diol (1/1)
The XLogP value of 2.1048 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene-1,3-dicarboxylic acid--2,2,4-trimethylpentane-1,3-diol (1/1). The TPSA of 115.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzene-1,3-dicarboxylic acid--2,2,4-trimethylpentane-1,3-diol (1/1). Following Lipinski's Rule of Five, Benzene-1,3-dicarboxylic acid--2,2,4-trimethylpentane-1,3-diol (1/1) has 4 hydrogen bond donor(s) and 4 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-1,3-dicarboxylic acid--2,2,4-trimethylpentane-1,3-diol (1/1)?
The CAS number of Benzene-1,3-dicarboxylic acid--2,2,4-trimethylpentane-1,3-diol (1/1) is 63687-33-2.
What is the molecular formula of Benzene-1,3-dicarboxylic acid--2,2,4-trimethylpentane-1,3-diol (1/1)?
The molecular formula of Benzene-1,3-dicarboxylic acid--2,2,4-trimethylpentane-1,3-diol (1/1) is C16H24O6.
What is the molecular weight of Benzene-1,3-dicarboxylic acid--2,2,4-trimethylpentane-1,3-diol (1/1)?
The molecular weight of Benzene-1,3-dicarboxylic acid--2,2,4-trimethylpentane-1,3-diol (1/1) is 312.16 g/mol.
Where can I buy Benzene-1,3-dicarboxylic acid--2,2,4-trimethylpentane-1,3-diol (1/1)?
You can request a quote for Benzene-1,3-dicarboxylic acid--2,2,4-trimethylpentane-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-1,3-dicarboxylic acid--2,2,4-trimethylpentane-1,3-diol (1/1)?
Yes, KEHONG BIO provides custom synthesis services for Benzene-1,3-dicarboxylic acid--2,2,4-trimethylpentane-1,3-diol (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.