2,5-Diacetoxyhexane
TL;DR: 2,5-Diacetoxyhexane (CAS 10307-28-5) is a chemical compound with molecular formula C10H18O4 and molecular weight 202.12051 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-acetyloxyhexan-2-yl acetate
Also Known As: 2,5-Diacetoxyhexane, hexane-2,5-diyl diacetate, 2,5-Hexanediol Diacetate, 5-acetyloxyhexan-2-yl acetate, NCIOpen2_004456
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H18O4 |
| Molecular Weight | 202.12051 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 202.12051 Da |
| Heavy Atoms | 14 |
| Complexity | 178.0 |
| SMILES | CC(CCC(C)OC(=O)C)OC(=O)C |
| InChIKey | UNAGYNUYXVBAEI-UHFFFAOYSA-N |
Chemical Property Profile of 2,5-Diacetoxyhexane
Property Insights of 2,5-Diacetoxyhexane
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Diacetoxyhexane. With a topological polar surface area (TPSA) of 52.6 Ų, 2,5-Diacetoxyhexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Diacetoxyhexane has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,5-Diacetoxyhexane?
The CAS number of 2,5-Diacetoxyhexane is 10307-28-5.
What is the molecular formula of 2,5-Diacetoxyhexane?
The molecular formula of 2,5-Diacetoxyhexane is C10H18O4.
What is the molecular weight of 2,5-Diacetoxyhexane?
The molecular weight of 2,5-Diacetoxyhexane is 202.12051 g/mol.
Where can I buy 2,5-Diacetoxyhexane?
You can request a quote for 2,5-Diacetoxyhexane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,5-Diacetoxyhexane?
Yes, CoreyChem provides custom synthesis services for 2,5-Diacetoxyhexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.