Butane-1,4-diol;ethane-1,2-diol;hexanedioic acid
TL;DR: Butane-1,4-diol;ethane-1,2-diol;hexanedioic acid (CAS 97621-66-4) is a chemical compound with molecular formula C12H26O8 and molecular weight 298.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butane-1,4-diol;ethane-1,2-diol;hexanedioic acid
Also Known As: Ethylene glycol, 1,4-butanediol, adipic acid polymer, Adipic acid-1,4-butanediol-ethylene glycol polymer, butane-1,4-diol;ethane-1,2-diol;hexanedioic acid, adipic acid; butane-1,4-diol; ethylene glycol, Hexanedioic acid, polymer with 1,4-butanediol and 1,2-ethanediol
| Molecular Formula | C12H26O8 |
|---|---|
| Molecular Weight | 298.16 g/mol |
| LogP | -0.5618 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 298.16278 |
| Heavy Atoms | 20 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 97621-66-4 |
|---|---|
| SMILES | C(CCC(=O)O)CC(=O)O.C(CCO)CO.C(CO)O |
| InChIKey | LBXDJRWWKSGUOY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butane-1,4-diol;ethane-1,2-diol;hexanedioic acid (CAS 97621-66-4), with molecular formula C12H26O8 and molecular weight 298.16 g/mol. IUPAC: butane-1,4-diol;ethane-1,2-diol;hexanedioic acid.
Chemical Property Profile of Butane-1,4-diol;ethane-1,2-diol;hexanedioic acid
Property Insights of Butane-1,4-diol;ethane-1,2-diol;hexanedioic acid
The XLogP value of -0.5618 indicates that Butane-1,4-diol;ethane-1,2-diol;hexanedioic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 156.0 Ų indicates high polarity, suggesting Butane-1,4-diol;ethane-1,2-diol;hexanedioic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Butane-1,4-diol;ethane-1,2-diol;hexanedioic acid has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butane-1,4-diol;ethane-1,2-diol;hexanedioic acid?
The CAS number of Butane-1,4-diol;ethane-1,2-diol;hexanedioic acid is 97621-66-4.
What is the molecular formula of Butane-1,4-diol;ethane-1,2-diol;hexanedioic acid?
The molecular formula of Butane-1,4-diol;ethane-1,2-diol;hexanedioic acid is C12H26O8.
What is the molecular weight of Butane-1,4-diol;ethane-1,2-diol;hexanedioic acid?
The molecular weight of Butane-1,4-diol;ethane-1,2-diol;hexanedioic acid is 298.16 g/mol.
Where can I buy Butane-1,4-diol;ethane-1,2-diol;hexanedioic acid?
You can request a quote for Butane-1,4-diol;ethane-1,2-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 Butane-1,4-diol;ethane-1,2-diol;hexanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for Butane-1,4-diol;ethane-1,2-diol;hexanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.