1,3-Decanediol
TL;DR: 1,3-Decanediol (CAS 128387-27-9) is a chemical compound with molecular formula C10H22O2 and molecular weight 174.16199 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
decane-1,3-diol
Also Known As: 1,3-Decanediol, decane-1,3-diol, 1,3-dihydroxydecane, (R)-1,3-decanediol, J2.105.680D
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H22O2 |
| Molecular Weight | 174.16199 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 174.16199 Da |
| Heavy Atoms | 12 |
| Complexity | 83.0 |
| SMILES | CCCCCCCC(CCO)O |
| InChIKey | ANWMPOLHSRXCNH-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Decanediol
Property Insights of 1,3-Decanediol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Decanediol. With a topological polar surface area (TPSA) of 40.5 Ų, 1,3-Decanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Decanediol 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 1,3-Decanediol?
The CAS number of 1,3-Decanediol is 128387-27-9.
What is the molecular formula of 1,3-Decanediol?
The molecular formula of 1,3-Decanediol is C10H22O2.
What is the molecular weight of 1,3-Decanediol?
The molecular weight of 1,3-Decanediol is 174.16199 g/mol.
Where can I buy 1,3-Decanediol?
You can request a quote for 1,3-Decanediol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Decanediol?
Yes, CoreyChem provides custom synthesis services for 1,3-Decanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.