Ethyl 2-(7-(diethylamino)-4-methyl-2-oxo-2H-chromen-3-yl)acetate
TL;DR: Ethyl 2-(7-(diethylamino)-4-methyl-2-oxo-2H-chromen-3-yl)acetate (CAS 107995-72-2) is a chemical compound with molecular formula C18H23NO4 and molecular weight 317.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]acetate
Also Known As: Ethyl 2-(7-(diethylamino)-4-methyl-2-oxo-2H-chromen-3-yl)acetate, BAS 00231938, (7-Diethylamino-4-methyl-2-oxo-2H-chromen-3-yl)-acetic acid ethyl ester, ethyl 2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]acetate, 3-ethoxycarbonylmethyl-4-methyl-7-diethylaminocoumarin
| Molecular Formula | C18H23NO4 |
|---|---|
| Molecular Weight | 317.16 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 317.16272 |
| Heavy Atoms | 23 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 107995-72-2 |
|---|---|
| SMILES | CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)CC(=O)OCC)C |
| InChIKey | ZTYPEBFIDVXIEU-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(7-(diethylamino)-4-methyl-2-oxo-2H-chromen-3-yl)acetate (CAS 107995-72-2), with molecular formula C18H23NO4 and molecular weight 317.16 g/mol. IUPAC: ethyl 2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]acetate.
Chemical Property Profile of Ethyl 2-(7-(diethylamino)-4-methyl-2-oxo-2H-chromen-3-yl)acetate
Property Insights of Ethyl 2-(7-(diethylamino)-4-methyl-2-oxo-2H-chromen-3-yl)acetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(7-(diethylamino)-4-methyl-2-oxo-2H-chromen-3-yl)acetate. With a topological polar surface area (TPSA) of 55.8 Ų, Ethyl 2-(7-(diethylamino)-4-methyl-2-oxo-2H-chromen-3-yl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(7-(diethylamino)-4-methyl-2-oxo-2H-chromen-3-yl)acetate has 0 hydrogen bond donor(s) and 5 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 Ethyl 2-(7-(diethylamino)-4-methyl-2-oxo-2H-chromen-3-yl)acetate?
The CAS number of Ethyl 2-(7-(diethylamino)-4-methyl-2-oxo-2H-chromen-3-yl)acetate is 107995-72-2.
What is the molecular formula of Ethyl 2-(7-(diethylamino)-4-methyl-2-oxo-2H-chromen-3-yl)acetate?
The molecular formula of Ethyl 2-(7-(diethylamino)-4-methyl-2-oxo-2H-chromen-3-yl)acetate is C18H23NO4.
What is the molecular weight of Ethyl 2-(7-(diethylamino)-4-methyl-2-oxo-2H-chromen-3-yl)acetate?
The molecular weight of Ethyl 2-(7-(diethylamino)-4-methyl-2-oxo-2H-chromen-3-yl)acetate is 317.16 g/mol.
Where can I buy Ethyl 2-(7-(diethylamino)-4-methyl-2-oxo-2H-chromen-3-yl)acetate?
You can request a quote for Ethyl 2-(7-(diethylamino)-4-methyl-2-oxo-2H-chromen-3-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(7-(diethylamino)-4-methyl-2-oxo-2H-chromen-3-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(7-(diethylamino)-4-methyl-2-oxo-2H-chromen-3-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.