大蒜吡喃酮
TL;DR: 大蒜吡喃酮 (CAS 125263-70-9) is a chemical compound with molecular formula C12H18O4 and molecular weight 226.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
大蒜吡喃酮
5-hydroxy-3-methoxy-2-methyl-6-pentylpyran-4-one
Also Known As: Allixin, starbld0002421, 3-Hydroxy-5-methoxy-6-methyl-2-pentyl-4H-pyran-4-one, 5-hydroxy-3-methoxy-2-methyl-6-pentylpyran-4-one, 3-Hydroxy-6-methyl-5-methoxy-2-pentyl-4H-pyran-4-one
| Molecular Formula | C12H18O4 |
|---|---|
| Molecular Weight | 226.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 226.12051 |
| Heavy Atoms | 16 |
| Complexity | 339.0 |
| Melting Point | 80 - 81 °C |
Chemical Identifiers
| CAS Number | 125263-70-9 |
|---|---|
| SMILES | CCCCCC1=C(C(=O)C(=C(O1)C)OC)O |
| InChIKey | OHRPDNHRQKOLGN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
大蒜吡喃酮 (CAS 125263-70-9), with molecular formula C12H18O4 and molecular weight 226.12 g/mol. IUPAC: 5-hydroxy-3-methoxy-2-methyl-6-pentylpyran-4-one.
Chemical Property Profile of 大蒜吡喃酮
Property Insights of 大蒜吡喃酮
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 大蒜吡喃酮. With a topological polar surface area (TPSA) of 55.8 Ų, 大蒜吡喃酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 大蒜吡喃酮 has 1 hydrogen bond donor(s) and 4 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 大蒜吡喃酮?
The CAS number of 大蒜吡喃酮 is 125263-70-9.
What is the molecular formula of 大蒜吡喃酮?
The molecular formula of 大蒜吡喃酮 is C12H18O4.
What is the molecular weight of 大蒜吡喃酮?
The molecular weight of 大蒜吡喃酮 is 226.12 g/mol.
Where can I buy 大蒜吡喃酮?
You can request a quote for 大蒜吡喃酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 大蒜吡喃酮?
Yes, KEHONG BIO provides custom synthesis services for 大蒜吡喃酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.