甲基三乙酰内酯
TL;DR: 甲基三乙酰内酯 (CAS 672-89-9) is a chemical compound with molecular formula C7H8O3 and molecular weight 140.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲基三乙酰内酯
4-methoxy-6-methylpyran-2-one
Also Known As: 4-Methoxy-6-methyl-2H-pyran-2-one, Methyltriacetolactone, Methyltriacetolacton, 4-methoxy-6-methylpyran-2-one, Methyltriacetolacton [German]
| Molecular Formula | C7H8O3 |
|---|---|
| Molecular Weight | 140.05 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 140.04735 |
| Heavy Atoms | 10 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 672-89-9 |
|---|---|
| SMILES | CC1=CC(=CC(=O)O1)OC |
| InChIKey | MTZAUZNQAMNFME-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲基三乙酰内酯 (CAS 672-89-9), with molecular formula C7H8O3 and molecular weight 140.05 g/mol. IUPAC: 4-methoxy-6-methylpyran-2-one.
Chemical Property Profile of 甲基三乙酰内酯
Property Insights of 甲基三乙酰内酯
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 甲基三乙酰内酯. With a topological polar surface area (TPSA) of 35.5 Ų, 甲基三乙酰内酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 甲基三乙酰内酯 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 甲基三乙酰内酯?
The CAS number of 甲基三乙酰内酯 is 672-89-9.
What is the molecular formula of 甲基三乙酰内酯?
The molecular formula of 甲基三乙酰内酯 is C7H8O3.
What is the molecular weight of 甲基三乙酰内酯?
The molecular weight of 甲基三乙酰内酯 is 140.05 g/mol.
Where can I buy 甲基三乙酰内酯?
You can request a quote for 甲基三乙酰内酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲基三乙酰内酯?
Yes, KEHONG BIO provides custom synthesis services for 甲基三乙酰内酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.