Benzene-1,3-dicarboxylic acid;hexane-1,6-diol;propane-1,2-diol
TL;DR: Benzene-1,3-dicarboxylic acid;hexane-1,6-diol;propane-1,2-diol (CAS 50258-68-9) is a chemical compound with molecular formula C17H28O8 and molecular weight 360.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzene-1,3-dicarboxylic acid;hexane-1,6-diol;propane-1,2-diol
Also Known As: (C8-H6-O4.C6-H14-O2.C3-H8-O2)x-, Isophthalic acid, 1,6-hexanediol, propylene glycol polymer, 1,3-Benzenedicarboxylic acid, polymer with 1,6-hexanediol and 1,2-propanediol, benzene-1,3-dicarboxylic acid; hexane-1,6-diol; propane-1,2-diol, 1,3-Benzenedicarboxylic acid, polymer 1,6-hexanediol and 1,2-propanediol
| Molecular Formula | C17H28O8 |
|---|---|
| Molecular Weight | 360.18 g/mol |
| LogP | 0.9739 |
| Topological Polar Surface Area | 155.52 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 360.1784 |
| Heavy Atoms | 25 |
| Complexity | 438.22058 |
Chemical Identifiers
| CAS Number | 50258-68-9 |
|---|---|
| SMILES | CC(CO)O.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C(CCCO)CCO |
Product Overview
Benzene-1,3-dicarboxylic acid;hexane-1,6-diol;propane-1,2-diol (CAS 50258-68-9), with molecular formula C17H28O8 and molecular weight 360.18 g/mol. IUPAC: benzene-1,3-dicarboxylic acid;hexane-1,6-diol;propane-1,2-diol.
Chemical Property Profile of Benzene-1,3-dicarboxylic acid;hexane-1,6-diol;propane-1,2-diol
Property Insights of Benzene-1,3-dicarboxylic acid;hexane-1,6-diol;propane-1,2-diol
The XLogP value of 0.9739 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene-1,3-dicarboxylic acid;hexane-1,6-diol;propane-1,2-diol. The TPSA of 155.52 Ų indicates high polarity, suggesting Benzene-1,3-dicarboxylic acid;hexane-1,6-diol;propane-1,2-diol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzene-1,3-dicarboxylic acid;hexane-1,6-diol;propane-1,2-diol has 6 hydrogen bond donor(s) and 6 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;hexane-1,6-diol;propane-1,2-diol?
The CAS number of Benzene-1,3-dicarboxylic acid;hexane-1,6-diol;propane-1,2-diol is 50258-68-9.
What is the molecular formula of Benzene-1,3-dicarboxylic acid;hexane-1,6-diol;propane-1,2-diol?
The molecular formula of Benzene-1,3-dicarboxylic acid;hexane-1,6-diol;propane-1,2-diol is C17H28O8.
What is the molecular weight of Benzene-1,3-dicarboxylic acid;hexane-1,6-diol;propane-1,2-diol?
The molecular weight of Benzene-1,3-dicarboxylic acid;hexane-1,6-diol;propane-1,2-diol is 360.18 g/mol.
Where can I buy Benzene-1,3-dicarboxylic acid;hexane-1,6-diol;propane-1,2-diol?
You can request a quote for Benzene-1,3-dicarboxylic acid;hexane-1,6-diol;propane-1,2-diol 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;hexane-1,6-diol;propane-1,2-diol?
Yes, KEHONG BIO provides custom synthesis services for Benzene-1,3-dicarboxylic acid;hexane-1,6-diol;propane-1,2-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.