4-Ipomeanol
TL;DR: 4-Ipomeanol (CAS 32954-58-8) is a chemical compound with molecular formula C9H12O3 and molecular weight 168.07864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(furan-3-yl)-4-hydroxypentan-1-one
Also Known As: 4-Ipomeanol, IPOMEANOL, 1-(furan-3-yl)-4-hydroxypentan-1-one, (+-)-4-ipomeanol, 3-Desoxy-D-arabinose
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H12O3 |
| Molecular Weight | 168.07864 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 50.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 168.07864 Da |
| Heavy Atoms | 12 |
| Complexity | 156.0 |
| Vapor Pressure | 0.000632 [mmHg] |
| Solubility | Chloroform > 100 (mg/mL) |
| SMILES | CC(CCC(=O)C1=COC=C1)O |
| InChIKey | RJYQLMILDVERHH-UHFFFAOYSA-N |
Chemical Property Profile of 4-Ipomeanol
Property Insights of 4-Ipomeanol
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ipomeanol. With a topological polar surface area (TPSA) of 50.4 Ų, 4-Ipomeanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ipomeanol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Ipomeanol?
The CAS number of 4-Ipomeanol is 32954-58-8.
What is the molecular formula of 4-Ipomeanol?
The molecular formula of 4-Ipomeanol is C9H12O3.
What is the molecular weight of 4-Ipomeanol?
The molecular weight of 4-Ipomeanol is 168.07864 g/mol.
Where can I buy 4-Ipomeanol?
You can request a quote for 4-Ipomeanol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Ipomeanol?
Yes, CoreyChem provides custom synthesis services for 4-Ipomeanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.