Hexane-1,6-diol adipate
TL;DR: Hexane-1,6-diol adipate (CAS 54571-18-5) is a chemical compound with molecular formula C12H24O6 and molecular weight 264.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexanedioic acid;hexane-1,6-diol
Also Known As: 1,6-hexanediol adipate, hexane-1,6-diol adipate, Hexanedioic acid, polymer with 1,6-hexanediol, Hexanediol, adipic acid polymer, hexanedioic acid;hexane-1,6-diol
| Molecular Formula | C12H24O6 |
|---|---|
| Molecular Weight | 264.16 g/mol |
| LogP | 1.2474 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 264.1573 |
| Heavy Atoms | 18 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 54571-18-5 |
|---|---|
| SMILES | C(CCCO)CCO.C(CCC(=O)O)CC(=O)O |
| InChIKey | WPEOOEIAIFABQP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexane-1,6-diol adipate (CAS 54571-18-5), with molecular formula C12H24O6 and molecular weight 264.16 g/mol. IUPAC: hexanedioic acid;hexane-1,6-diol.
Chemical Property Profile of Hexane-1,6-diol adipate
Property Insights of Hexane-1,6-diol adipate
The XLogP value of 1.2474 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexane-1,6-diol adipate. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexane-1,6-diol adipate. Following Lipinski's Rule of Five, Hexane-1,6-diol adipate 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 Hexane-1,6-diol adipate?
The CAS number of Hexane-1,6-diol adipate is 54571-18-5.
What is the molecular formula of Hexane-1,6-diol adipate?
The molecular formula of Hexane-1,6-diol adipate is C12H24O6.
What is the molecular weight of Hexane-1,6-diol adipate?
The molecular weight of Hexane-1,6-diol adipate is 264.16 g/mol.
Where can I buy Hexane-1,6-diol adipate?
You can request a quote for Hexane-1,6-diol adipate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexane-1,6-diol adipate?
Yes, KEHONG BIO provides custom synthesis services for Hexane-1,6-diol adipate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.