Ipomeanine
TL;DR: Ipomeanine (CAS 496-06-0) is a chemical compound with molecular formula C9H10O3 and molecular weight 166.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(furan-3-yl)pentane-1,4-dione
Also Known As: Ipomeanine, 1-(furan-3-yl)pentane-1,4-dione, Ipomeanin, 1-(3-Furanyl)-1,4-pentanedione, beta-(gamma-Oxovaleroyl)furan
| Molecular Formula | C9H10O3 |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 47.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 166.06299 |
| Heavy Atoms | 12 |
| Complexity | 186.0 |
| Melting Point | 42 - 43 °C |
Chemical Identifiers
| CAS Number | 496-06-0 |
|---|---|
| SMILES | CC(=O)CCC(=O)C1=COC=C1 |
| InChIKey | VUENWDJSJYJARL-UHFFFAOYSA-N |
Product Overview
Ipomeanine (CAS 496-06-0), with molecular formula C9H10O3 and molecular weight 166.06 g/mol. IUPAC: 1-(furan-3-yl)pentane-1,4-dione.
Chemical Property Profile of Ipomeanine
Property Insights of Ipomeanine
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ipomeanine. With a topological polar surface area (TPSA) of 47.3 Ų, Ipomeanine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ipomeanine has 0 hydrogen bond donor(s) and 3 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 Ipomeanine?
The CAS number of Ipomeanine is 496-06-0.
What is the molecular formula of Ipomeanine?
The molecular formula of Ipomeanine is C9H10O3.
What is the molecular weight of Ipomeanine?
The molecular weight of Ipomeanine is 166.06 g/mol.
Where can I buy Ipomeanine?
You can request a quote for Ipomeanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ipomeanine?
Yes, KEHONG BIO provides custom synthesis services for Ipomeanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.