1-(Acetyloxy)hexyl acetate
TL;DR: 1-(Acetyloxy)hexyl acetate (CAS 64847-81-0) is a chemical compound with molecular formula C10H18O4 and molecular weight 202.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-acetyloxyhexyl acetate
Also Known As: Hexylidenediacetate, hexanediol diacetate, 1-(Acetyloxy)hexyl acetate, 1,1-Diacetoxyhexane, 1-acetyloxyhexyl acetate
| Molecular Formula | C10H18O4 |
|---|---|
| Molecular Weight | 202.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 202.12051 |
| Heavy Atoms | 14 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 64847-81-0 |
|---|---|
| SMILES | CCCCCC(OC(=O)C)OC(=O)C |
| InChIKey | JHWGDOLQKUEOKY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Acetyloxy)hexyl acetate (CAS 64847-81-0), with molecular formula C10H18O4 and molecular weight 202.12 g/mol. IUPAC: 1-acetyloxyhexyl acetate.
Chemical Property Profile of 1-(Acetyloxy)hexyl acetate
Property Insights of 1-(Acetyloxy)hexyl acetate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Acetyloxy)hexyl acetate. With a topological polar surface area (TPSA) of 52.6 Ų, 1-(Acetyloxy)hexyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Acetyloxy)hexyl acetate 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
Frequently Asked Questions
What is the CAS number of 1-(Acetyloxy)hexyl acetate?
The CAS number of 1-(Acetyloxy)hexyl acetate is 64847-81-0.
What is the molecular formula of 1-(Acetyloxy)hexyl acetate?
The molecular formula of 1-(Acetyloxy)hexyl acetate is C10H18O4.
What is the molecular weight of 1-(Acetyloxy)hexyl acetate?
The molecular weight of 1-(Acetyloxy)hexyl acetate is 202.12 g/mol.
Where can I buy 1-(Acetyloxy)hexyl acetate?
You can request a quote for 1-(Acetyloxy)hexyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Acetyloxy)hexyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-(Acetyloxy)hexyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.