1,2-Octanediol, diacetate
TL;DR: 1,2-Octanediol, diacetate (CAS 22007-56-3) 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.
2-acetyloxyoctyl acetate
Also Known As: 1,2-Octanediyl diacetate, 2-acetyloxyoctyl acetate, octane-1,2-diyl diacetate, 1,2-Diacetoxyoctane, 1,2-octanediyldiacetate
| Molecular Formula | C12H22O4 |
|---|---|
| Molecular Weight | 230.15 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 230.15181 |
| Heavy Atoms | 16 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 22007-56-3 |
|---|---|
| SMILES | CCCCCCC(COC(=O)C)OC(=O)C |
| InChIKey | RANGUUYBFDYGLF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Octanediol, diacetate (CAS 22007-56-3), with molecular formula C12H22O4 and molecular weight 230.15 g/mol. IUPAC: 2-acetyloxyoctyl acetate.
Chemical Property Profile of 1,2-Octanediol, diacetate
Property Insights of 1,2-Octanediol, diacetate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Octanediol, diacetate. With a topological polar surface area (TPSA) of 52.6 Ų, 1,2-Octanediol, diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Octanediol, 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 1,2-Octanediol, diacetate?
The CAS number of 1,2-Octanediol, diacetate is 22007-56-3.
What is the molecular formula of 1,2-Octanediol, diacetate?
The molecular formula of 1,2-Octanediol, diacetate is C12H22O4.
What is the molecular weight of 1,2-Octanediol, diacetate?
The molecular weight of 1,2-Octanediol, diacetate is 230.15 g/mol.
Where can I buy 1,2-Octanediol, diacetate?
You can request a quote for 1,2-Octanediol, diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Octanediol, diacetate?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Octanediol, diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.