3,6-Octanediol
TL;DR: 3,6-Octanediol (CAS 24434-09-1) is a chemical compound with molecular formula C8H18O2 and molecular weight 146.13068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
octane-3,6-diol
Also Known As: 3,6-Octanediol, octane-3,6-diol, (3R,6R)-3,6-Octanediol, (3S,6S)-3,6-OCTANEDIOL, (3R,6R)-octane-3,6-diol
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H18O2 |
| Molecular Weight | 146.13068 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 146.13068 Da |
| Heavy Atoms | 10 |
| Complexity | 63.0 |
| SMILES | CCC(CCC(CC)O)O |
| InChIKey | BCKOQWWRTRBSGR-UHFFFAOYSA-N |
Chemical Property Profile of 3,6-Octanediol
Property Insights of 3,6-Octanediol
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6-Octanediol. With a topological polar surface area (TPSA) of 40.5 Ų, 3,6-Octanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6-Octanediol has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,6-Octanediol?
The CAS number of 3,6-Octanediol is 24434-09-1.
What is the molecular formula of 3,6-Octanediol?
The molecular formula of 3,6-Octanediol is C8H18O2.
What is the molecular weight of 3,6-Octanediol?
The molecular weight of 3,6-Octanediol is 146.13068 g/mol.
Where can I buy 3,6-Octanediol?
You can request a quote for 3,6-Octanediol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,6-Octanediol?
Yes, CoreyChem provides custom synthesis services for 3,6-Octanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.