Benzoic acid;2,2-dimethylpropane-1,3-diol;hexanedioic acid
TL;DR: Benzoic acid;2,2-dimethylpropane-1,3-diol;hexanedioic acid (CAS 67989-13-3) is a chemical compound with molecular formula C18H28O8 and molecular weight 372.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzoic acid;2,2-dimethylpropane-1,3-diol;hexanedioic acid
Also Known As: Adipic acid, benzoic acid, neopentyl glycol polymer, C7-H6-O2.x-(C6H10-O4.C5-H12-O2)x-, benzoic acid; 2,2-dimethylpropane-1,3-diol; hexanedioic acid, Hexanedioic acid, polymer with 2,2-dimethyl-1,3-propanediol, benzoate
| Molecular Formula | C18H28O8 |
|---|---|
| Molecular Weight | 372.18 g/mol |
| LogP | 2.098 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 372.1784 |
| Heavy Atoms | 26 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 67989-13-3 |
|---|---|
| SMILES | CC(C)(CO)CO.C1=CC=C(C=C1)C(=O)O.C(CCC(=O)O)CC(=O)O |
| InChIKey | STLIUYGMHKJHHB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid;2,2-dimethylpropane-1,3-diol;hexanedioic acid (CAS 67989-13-3), with molecular formula C18H28O8 and molecular weight 372.18 g/mol. IUPAC: benzoic acid;2,2-dimethylpropane-1,3-diol;hexanedioic acid.
Chemical Property Profile of Benzoic acid;2,2-dimethylpropane-1,3-diol;hexanedioic acid
Property Insights of Benzoic acid;2,2-dimethylpropane-1,3-diol;hexanedioic acid
The XLogP value of 2.098 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid;2,2-dimethylpropane-1,3-diol;hexanedioic acid. The TPSA of 152.0 Ų indicates high polarity, suggesting Benzoic acid;2,2-dimethylpropane-1,3-diol;hexanedioic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzoic acid;2,2-dimethylpropane-1,3-diol;hexanedioic acid has 5 hydrogen bond donor(s) and 8 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 Benzoic acid;2,2-dimethylpropane-1,3-diol;hexanedioic acid?
The CAS number of Benzoic acid;2,2-dimethylpropane-1,3-diol;hexanedioic acid is 67989-13-3.
What is the molecular formula of Benzoic acid;2,2-dimethylpropane-1,3-diol;hexanedioic acid?
The molecular formula of Benzoic acid;2,2-dimethylpropane-1,3-diol;hexanedioic acid is C18H28O8.
What is the molecular weight of Benzoic acid;2,2-dimethylpropane-1,3-diol;hexanedioic acid?
The molecular weight of Benzoic acid;2,2-dimethylpropane-1,3-diol;hexanedioic acid is 372.18 g/mol.
Where can I buy Benzoic acid;2,2-dimethylpropane-1,3-diol;hexanedioic acid?
You can request a quote for Benzoic acid;2,2-dimethylpropane-1,3-diol;hexanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid;2,2-dimethylpropane-1,3-diol;hexanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid;2,2-dimethylpropane-1,3-diol;hexanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.