2-(Diethylamino)ethyl 4-oxo-2-phenyl-4H-1-benzopyran-8-acetate
TL;DR: 2-(Diethylamino)ethyl 4-oxo-2-phenyl-4H-1-benzopyran-8-acetate (CAS 87626-56-0) is a chemical compound with molecular formula C23H25NO4 and molecular weight 379.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 2-(4-oxo-2-phenylchromen-8-yl)acetate
Also Known As: LM985, LM 985, Flavone acetic acid diethanolamine ester, Mitoflaxone 2-(diethylamino)ethyl ester, HY-U00379
| Molecular Formula | C23H25NO4 |
|---|---|
| Molecular Weight | 379.18 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 379.17834 |
| Heavy Atoms | 28 |
| Complexity | 563.0 |
Chemical Identifiers
| CAS Number | 87626-56-0 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)CC1=C2C(=CC=C1)C(=O)C=C(O2)C3=CC=CC=C3 |
| InChIKey | ZMLZQKCBYPEYMG-UHFFFAOYSA-N |
Product Overview
2-(Diethylamino)ethyl 4-oxo-2-phenyl-4H-1-benzopyran-8-acetate (CAS 87626-56-0), with molecular formula C23H25NO4 and molecular weight 379.18 g/mol. IUPAC: 2-(diethylamino)ethyl 2-(4-oxo-2-phenylchromen-8-yl)acetate.
Chemical Property Profile of 2-(Diethylamino)ethyl 4-oxo-2-phenyl-4H-1-benzopyran-8-acetate
Property Insights of 2-(Diethylamino)ethyl 4-oxo-2-phenyl-4H-1-benzopyran-8-acetate
The XLogP value of 3.7 indicates that 2-(Diethylamino)ethyl 4-oxo-2-phenyl-4H-1-benzopyran-8-acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, 2-(Diethylamino)ethyl 4-oxo-2-phenyl-4H-1-benzopyran-8-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Diethylamino)ethyl 4-oxo-2-phenyl-4H-1-benzopyran-8-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 2-(Diethylamino)ethyl 4-oxo-2-phenyl-4H-1-benzopyran-8-acetate?
The CAS number of 2-(Diethylamino)ethyl 4-oxo-2-phenyl-4H-1-benzopyran-8-acetate is 87626-56-0.
What is the molecular formula of 2-(Diethylamino)ethyl 4-oxo-2-phenyl-4H-1-benzopyran-8-acetate?
The molecular formula of 2-(Diethylamino)ethyl 4-oxo-2-phenyl-4H-1-benzopyran-8-acetate is C23H25NO4.
What is the molecular weight of 2-(Diethylamino)ethyl 4-oxo-2-phenyl-4H-1-benzopyran-8-acetate?
The molecular weight of 2-(Diethylamino)ethyl 4-oxo-2-phenyl-4H-1-benzopyran-8-acetate is 379.18 g/mol.
Where can I buy 2-(Diethylamino)ethyl 4-oxo-2-phenyl-4H-1-benzopyran-8-acetate?
You can request a quote for 2-(Diethylamino)ethyl 4-oxo-2-phenyl-4H-1-benzopyran-8-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Diethylamino)ethyl 4-oxo-2-phenyl-4H-1-benzopyran-8-acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Diethylamino)ethyl 4-oxo-2-phenyl-4H-1-benzopyran-8-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.