methyl 4-((7-(2-amino-2-oxoethoxy)-2-methyl-4-oxo-4H-chromen-3-yl)oxy)benzoate
TL;DR: methyl 4-((7-(2-amino-2-oxoethoxy)-2-methyl-4-oxo-4H-chromen-3-yl)oxy)benzoate (CAS 845901-03-3) is a chemical compound with molecular formula C20H17NO7 and molecular weight 383.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[7-(2-amino-2-oxoethoxy)-2-methyl-4-oxochromen-3-yl]oxybenzoate
Also Known As: methyl 4-[7-(2-amino-2-oxoethoxy)-2-methyl-4-oxochromen-3-yl]oxybenzoate, methyl 4-((7-(2-amino-2-oxoethoxy)-2-methyl-4-oxo-4H-chromen-3-yl)oxy)benzoate, methyl 4-{[7-(2-amino-2-oxoethoxy)-2-methyl-4-oxo-4H-chromen-3-yl]oxy}benzoate
| Molecular Formula | C20H17NO7 |
|---|---|
| Molecular Weight | 383.10 g/mol |
| LogP | 2.54442 |
| Topological Polar Surface Area | 118.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 383.1005 |
| Heavy Atoms | 28 |
| Complexity | 1099.9775 |
Chemical Identifiers
| CAS Number | 845901-03-3 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC(=O)N)OC3=CC=C(C=C3)C(=O)OC |
Product Overview
methyl 4-((7-(2-amino-2-oxoethoxy)-2-methyl-4-oxo-4H-chromen-3-yl)oxy)benzoate (CAS 845901-03-3), with molecular formula C20H17NO7 and molecular weight 383.10 g/mol. IUPAC: methyl 4-[7-(2-amino-2-oxoethoxy)-2-methyl-4-oxochromen-3-yl]oxybenzoate.
Chemical Property Profile of methyl 4-((7-(2-amino-2-oxoethoxy)-2-methyl-4-oxo-4H-chromen-3-yl)oxy)benzoate
Property Insights of methyl 4-((7-(2-amino-2-oxoethoxy)-2-methyl-4-oxo-4H-chromen-3-yl)oxy)benzoate
The XLogP value of 2.54442 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-((7-(2-amino-2-oxoethoxy)-2-methyl-4-oxo-4H-chromen-3-yl)oxy)benzoate. The TPSA of 118.06 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-((7-(2-amino-2-oxoethoxy)-2-methyl-4-oxo-4H-chromen-3-yl)oxy)benzoate. Following Lipinski's Rule of Five, methyl 4-((7-(2-amino-2-oxoethoxy)-2-methyl-4-oxo-4H-chromen-3-yl)oxy)benzoate has 1 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 methyl 4-((7-(2-amino-2-oxoethoxy)-2-methyl-4-oxo-4H-chromen-3-yl)oxy)benzoate?
The CAS number of methyl 4-((7-(2-amino-2-oxoethoxy)-2-methyl-4-oxo-4H-chromen-3-yl)oxy)benzoate is 845901-03-3.
What is the molecular formula of methyl 4-((7-(2-amino-2-oxoethoxy)-2-methyl-4-oxo-4H-chromen-3-yl)oxy)benzoate?
The molecular formula of methyl 4-((7-(2-amino-2-oxoethoxy)-2-methyl-4-oxo-4H-chromen-3-yl)oxy)benzoate is C20H17NO7.
What is the molecular weight of methyl 4-((7-(2-amino-2-oxoethoxy)-2-methyl-4-oxo-4H-chromen-3-yl)oxy)benzoate?
The molecular weight of methyl 4-((7-(2-amino-2-oxoethoxy)-2-methyl-4-oxo-4H-chromen-3-yl)oxy)benzoate is 383.10 g/mol.
Where can I buy methyl 4-((7-(2-amino-2-oxoethoxy)-2-methyl-4-oxo-4H-chromen-3-yl)oxy)benzoate?
You can request a quote for methyl 4-((7-(2-amino-2-oxoethoxy)-2-methyl-4-oxo-4H-chromen-3-yl)oxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-((7-(2-amino-2-oxoethoxy)-2-methyl-4-oxo-4H-chromen-3-yl)oxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-((7-(2-amino-2-oxoethoxy)-2-methyl-4-oxo-4H-chromen-3-yl)oxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.