紫苏酮
TL;DR: 紫苏酮 (CAS 553-84-4) is a chemical compound with molecular formula C10H14O2 and molecular weight 166.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
紫苏酮
1-(furan-3-yl)-4-methylpentan-1-one
Also Known As: Perilla ketone, perillaketone, 1-(furan-3-yl)-4-methylpentan-1-one, beta-Furyl isoamyl ketone, Purple mint plant extract
| Molecular Formula | C10H14O2 |
|---|---|
| Molecular Weight | 166.10 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 30.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 166.09938 |
| Heavy Atoms | 12 |
| Complexity | 152.0 |
| Boiling Point | 223.00 to 225.00 °C. @ 760.00 mm Hg |
Chemical Identifiers
| CAS Number | 553-84-4 |
|---|---|
| SMILES | CC(C)CCC(=O)C1=COC=C1 |
| InChIKey | LVHLZMUFIYAEQB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
紫苏酮 (CAS 553-84-4), with molecular formula C10H14O2 and molecular weight 166.10 g/mol. IUPAC: 1-(furan-3-yl)-4-methylpentan-1-one.
Chemical Property Profile of 紫苏酮
Property Insights of 紫苏酮
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 紫苏酮. With a topological polar surface area (TPSA) of 30.2 Ų, 紫苏酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 紫苏酮 has 0 hydrogen bond donor(s) and 2 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 紫苏酮?
The CAS number of 紫苏酮 is 553-84-4.
What is the molecular formula of 紫苏酮?
The molecular formula of 紫苏酮 is C10H14O2.
What is the molecular weight of 紫苏酮?
The molecular weight of 紫苏酮 is 166.10 g/mol.
Where can I buy 紫苏酮?
You can request a quote for 紫苏酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 紫苏酮?
Yes, KEHONG BIO provides custom synthesis services for 紫苏酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.