5-Decyne-4,7-diol
TL;DR: 5-Decyne-4,7-diol (CAS 1070-40-2) is a chemical compound with molecular formula C10H18O2 and molecular weight 170.13068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dec-5-yne-4,7-diol
Also Known As: 5-Decyne-4,7-diol, dec-5-yne-4,7-diol, AI3-12091, 213-974-9, EINECS 213-974-9
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H18O2 |
| Molecular Weight | 170.13068 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 170.13068 Da |
| Heavy Atoms | 12 |
| Complexity | 147.0 |
| SMILES | CCCC(C#CC(CCC)O)O |
| InChIKey | DPWCXHJKJXRDBZ-UHFFFAOYSA-N |
Chemical Property Profile of 5-Decyne-4,7-diol
Property Insights of 5-Decyne-4,7-diol
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Decyne-4,7-diol. With a topological polar surface area (TPSA) of 40.5 Ų, 5-Decyne-4,7-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Decyne-4,7-diol 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 5-Decyne-4,7-diol?
The CAS number of 5-Decyne-4,7-diol is 1070-40-2.
What is the molecular formula of 5-Decyne-4,7-diol?
The molecular formula of 5-Decyne-4,7-diol is C10H18O2.
What is the molecular weight of 5-Decyne-4,7-diol?
The molecular weight of 5-Decyne-4,7-diol is 170.13068 g/mol.
Where can I buy 5-Decyne-4,7-diol?
You can request a quote for 5-Decyne-4,7-diol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Decyne-4,7-diol?
Yes, CoreyChem provides custom synthesis services for 5-Decyne-4,7-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.