1,6-Hexanediol, 1,6-diacetate
TL;DR: 1,6-Hexanediol, 1,6-diacetate (CAS 6222-17-9) 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.
6-acetyloxyhexyl acetate
Also Known As: 1,6-Diacetoxyhexane, 1,6-Hexanediol diacetate, Hexylene glycol diacetate, 6-acetyloxyhexyl acetate, 1,6-Hexanediol, diacetate
| Molecular Formula | C10H18O4 |
|---|---|
| Molecular Weight | 202.12 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 202.12051 |
| Heavy Atoms | 14 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 6222-17-9 |
|---|---|
| SMILES | CC(=O)OCCCCCCOC(=O)C |
| InChIKey | ZMFWEWMHABZQNB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,6-Hexanediol, 1,6-diacetate (CAS 6222-17-9), with molecular formula C10H18O4 and molecular weight 202.12 g/mol. IUPAC: 6-acetyloxyhexyl acetate.
Chemical Property Profile of 1,6-Hexanediol, 1,6-diacetate
Property Insights of 1,6-Hexanediol, 1,6-diacetate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,6-Hexanediol, 1,6-diacetate. With a topological polar surface area (TPSA) of 52.6 Ų, 1,6-Hexanediol, 1,6-diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,6-Hexanediol, 1,6-diacetate 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 1,6-Hexanediol, 1,6-diacetate?
The CAS number of 1,6-Hexanediol, 1,6-diacetate is 6222-17-9.
What is the molecular formula of 1,6-Hexanediol, 1,6-diacetate?
The molecular formula of 1,6-Hexanediol, 1,6-diacetate is C10H18O4.
What is the molecular weight of 1,6-Hexanediol, 1,6-diacetate?
The molecular weight of 1,6-Hexanediol, 1,6-diacetate is 202.12 g/mol.
Where can I buy 1,6-Hexanediol, 1,6-diacetate?
You can request a quote for 1,6-Hexanediol, 1,6-diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,6-Hexanediol, 1,6-diacetate?
Yes, KEHONG BIO provides custom synthesis services for 1,6-Hexanediol, 1,6-diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.