Ethyl 3-(2-((5-hydroxy-2,2-dimethyl-4-oxochroman-7-yl)oxy)acetamido)benzoate
TL;DR: Ethyl 3-(2-((5-hydroxy-2,2-dimethyl-4-oxochroman-7-yl)oxy)acetamido)benzoate (CAS 956608-30-3) is a chemical compound with molecular formula C22H23NO7 and molecular weight 413.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[[2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetyl]amino]benzoate
Also Known As: ethyl 3-(2-((5-hydroxy-2,2-dimethyl-4-oxochroman-7-yl)oxy)acetamido)benzoate, ethyl 3-[[2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetyl]amino]benzoate, ethyl 3-({[(5-hydroxy-2,2-dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-yl)oxy]acetyl}amino)benzoate
| Molecular Formula | C22H23NO7 |
|---|---|
| Molecular Weight | 413.15 g/mol |
| LogP | 3.3302 |
| Topological Polar Surface Area | 111.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.14746 |
| Heavy Atoms | 30 |
| Complexity | 996.9757 |
Chemical Identifiers
| CAS Number | 956608-30-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CC=C1)NC(=O)COC2=CC(=C3C(=O)CC(OC3=C2)(C)C)O |
Product Overview
Ethyl 3-(2-((5-hydroxy-2,2-dimethyl-4-oxochroman-7-yl)oxy)acetamido)benzoate (CAS 956608-30-3), with molecular formula C22H23NO7 and molecular weight 413.15 g/mol. IUPAC: ethyl 3-[[2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetyl]amino]benzoate.
Chemical Property Profile of Ethyl 3-(2-((5-hydroxy-2,2-dimethyl-4-oxochroman-7-yl)oxy)acetamido)benzoate
Property Insights of Ethyl 3-(2-((5-hydroxy-2,2-dimethyl-4-oxochroman-7-yl)oxy)acetamido)benzoate
The XLogP value of 3.3302 indicates that Ethyl 3-(2-((5-hydroxy-2,2-dimethyl-4-oxochroman-7-yl)oxy)acetamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.16 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(2-((5-hydroxy-2,2-dimethyl-4-oxochroman-7-yl)oxy)acetamido)benzoate. Following Lipinski's Rule of Five, Ethyl 3-(2-((5-hydroxy-2,2-dimethyl-4-oxochroman-7-yl)oxy)acetamido)benzoate has 2 hydrogen bond donor(s) and 7 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 3-(2-((5-hydroxy-2,2-dimethyl-4-oxochroman-7-yl)oxy)acetamido)benzoate?
The CAS number of Ethyl 3-(2-((5-hydroxy-2,2-dimethyl-4-oxochroman-7-yl)oxy)acetamido)benzoate is 956608-30-3.
What is the molecular formula of Ethyl 3-(2-((5-hydroxy-2,2-dimethyl-4-oxochroman-7-yl)oxy)acetamido)benzoate?
The molecular formula of Ethyl 3-(2-((5-hydroxy-2,2-dimethyl-4-oxochroman-7-yl)oxy)acetamido)benzoate is C22H23NO7.
What is the molecular weight of Ethyl 3-(2-((5-hydroxy-2,2-dimethyl-4-oxochroman-7-yl)oxy)acetamido)benzoate?
The molecular weight of Ethyl 3-(2-((5-hydroxy-2,2-dimethyl-4-oxochroman-7-yl)oxy)acetamido)benzoate is 413.15 g/mol.
Where can I buy Ethyl 3-(2-((5-hydroxy-2,2-dimethyl-4-oxochroman-7-yl)oxy)acetamido)benzoate?
You can request a quote for Ethyl 3-(2-((5-hydroxy-2,2-dimethyl-4-oxochroman-7-yl)oxy)acetamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(2-((5-hydroxy-2,2-dimethyl-4-oxochroman-7-yl)oxy)acetamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(2-((5-hydroxy-2,2-dimethyl-4-oxochroman-7-yl)oxy)acetamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.