4-甲基伞形酮乙酸酯
TL;DR: 4-甲基伞形酮乙酸酯 (CAS 2747-05-9) is a chemical compound with molecular formula C12H10O4 and molecular weight 218.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-甲基伞形酮乙酸酯
(4-methyl-2-oxochromen-7-yl) acetate
Also Known As: 7-Acetoxy-4-methylcoumarin, 4-methylumbelliferyl acetate, 4-Methyl-2-oxo-2H-chromen-7-yl acetate, muacetate, mub acetate
| Molecular Formula | C12H10O4 |
|---|---|
| Molecular Weight | 218.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.0579 |
| Heavy Atoms | 16 |
| Complexity | 345.0 |
| Melting Point | 153 - 154 °C |
Chemical Identifiers
| CAS Number | 2747-05-9 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C |
| InChIKey | HXVZGASCDAGAPS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-甲基伞形酮乙酸酯 (CAS 2747-05-9), with molecular formula C12H10O4 and molecular weight 218.06 g/mol. IUPAC: (4-methyl-2-oxochromen-7-yl) acetate.
Chemical Property Profile of 4-甲基伞形酮乙酸酯
Property Insights of 4-甲基伞形酮乙酸酯
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-甲基伞形酮乙酸酯. With a topological polar surface area (TPSA) of 52.6 Ų, 4-甲基伞形酮乙酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-甲基伞形酮乙酸酯 has 0 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 4-甲基伞形酮乙酸酯?
The CAS number of 4-甲基伞形酮乙酸酯 is 2747-05-9.
What is the molecular formula of 4-甲基伞形酮乙酸酯?
The molecular formula of 4-甲基伞形酮乙酸酯 is C12H10O4.
What is the molecular weight of 4-甲基伞形酮乙酸酯?
The molecular weight of 4-甲基伞形酮乙酸酯 is 218.06 g/mol.
Where can I buy 4-甲基伞形酮乙酸酯?
You can request a quote for 4-甲基伞形酮乙酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-甲基伞形酮乙酸酯?
Yes, KEHONG BIO provides custom synthesis services for 4-甲基伞形酮乙酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.