1,8-Diacetoxyoctane
TL;DR: 1,8-Diacetoxyoctane (CAS 3992-48-1) is a chemical compound with molecular formula C12H22O4 and molecular weight 230.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-acetyloxyoctyl acetate
Also Known As: 1,8-Diacetoxyoctane, 1,8-Octanediol Diacetate, 8-acetyloxyoctyl Acetate, Lubiprostone, Octamethylene Diacetate
| Molecular Formula | C12H22O4 |
|---|---|
| Molecular Weight | 230.15 g/mol |
| LogP | 2.4532 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 230.15181 |
| Heavy Atoms | 16 |
| Complexity | 179.19543 |
Chemical Identifiers
| CAS Number | 3992-48-1 |
|---|---|
| SMILES | CC(=O)OCCCCCCCCOC(=O)C |
Product Overview
1,8-Diacetoxyoctane (CAS 3992-48-1), with molecular formula C12H22O4 and molecular weight 230.15 g/mol. IUPAC: 8-acetyloxyoctyl acetate.
Chemical Property Profile of 1,8-Diacetoxyoctane
Property Insights of 1,8-Diacetoxyoctane
The XLogP value of 2.4532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,8-Diacetoxyoctane. With a topological polar surface area (TPSA) of 52.6 Ų, 1,8-Diacetoxyoctane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,8-Diacetoxyoctane 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 1,8-Diacetoxyoctane?
The CAS number of 1,8-Diacetoxyoctane is 3992-48-1.
What is the molecular formula of 1,8-Diacetoxyoctane?
The molecular formula of 1,8-Diacetoxyoctane is C12H22O4.
What is the molecular weight of 1,8-Diacetoxyoctane?
The molecular weight of 1,8-Diacetoxyoctane is 230.15 g/mol.
Where can I buy 1,8-Diacetoxyoctane?
You can request a quote for 1,8-Diacetoxyoctane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,8-Diacetoxyoctane?
Yes, KEHONG BIO provides custom synthesis services for 1,8-Diacetoxyoctane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.