methyl 4-((((6-chloro-4-ethyl-7-hydroxy-2-oxo-2H-chromen-8-yl)methyl)amino)methyl)benzoate
TL;DR: methyl 4-((((6-chloro-4-ethyl-7-hydroxy-2-oxo-2H-chromen-8-yl)methyl)amino)methyl)benzoate (CAS 903206-01-9) is a chemical compound with molecular formula C21H20ClNO5 and molecular weight 401.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[(6-chloro-4-ethyl-7-hydroxy-2-oxochromen-8-yl)methylamino]methyl]benzoate
Also Known As: methyl 4-((((6-chloro-4-ethyl-7-hydroxy-2-oxo-2H-chromen-8-yl)methyl)amino)methyl)benzoate, Methyl 4-[[(6-chloro-4-ethyl-7-hydroxy-2-oxo-chromen-8-yl)methylamino]methyl]benzoate, methyl 4-[[(6-chloro-4-ethyl-7-hydroxy-2-oxochromen-8-yl)methylamino]methyl]benzoate, methyl 4-({[(6-chloro-4-ethyl-7-hydroxy-2-oxo-2H-chromen-8-yl)methyl]amino}methyl)benzoate
| Molecular Formula | C21H20ClNO5 |
|---|---|
| Molecular Weight | 401.10 g/mol |
| LogP | 3.7908 |
| Topological Polar Surface Area | 88.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.103 |
| Heavy Atoms | 28 |
| Complexity | 1072.8315 |
Chemical Identifiers
| CAS Number | 903206-01-9 |
|---|---|
| SMILES | CCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)O)CNCC3=CC=C(C=C3)C(=O)OC |
Product Overview
methyl 4-((((6-chloro-4-ethyl-7-hydroxy-2-oxo-2H-chromen-8-yl)methyl)amino)methyl)benzoate (CAS 903206-01-9), with molecular formula C21H20ClNO5 and molecular weight 401.10 g/mol. IUPAC: methyl 4-[[(6-chloro-4-ethyl-7-hydroxy-2-oxochromen-8-yl)methylamino]methyl]benzoate.
Chemical Property Profile of methyl 4-((((6-chloro-4-ethyl-7-hydroxy-2-oxo-2H-chromen-8-yl)methyl)amino)methyl)benzoate
Property Insights of methyl 4-((((6-chloro-4-ethyl-7-hydroxy-2-oxo-2H-chromen-8-yl)methyl)amino)methyl)benzoate
The XLogP value of 3.7908 indicates that methyl 4-((((6-chloro-4-ethyl-7-hydroxy-2-oxo-2H-chromen-8-yl)methyl)amino)methyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.77 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-((((6-chloro-4-ethyl-7-hydroxy-2-oxo-2H-chromen-8-yl)methyl)amino)methyl)benzoate. Following Lipinski's Rule of Five, methyl 4-((((6-chloro-4-ethyl-7-hydroxy-2-oxo-2H-chromen-8-yl)methyl)amino)methyl)benzoate has 2 hydrogen bond donor(s) and 6 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-((((6-chloro-4-ethyl-7-hydroxy-2-oxo-2H-chromen-8-yl)methyl)amino)methyl)benzoate?
The CAS number of methyl 4-((((6-chloro-4-ethyl-7-hydroxy-2-oxo-2H-chromen-8-yl)methyl)amino)methyl)benzoate is 903206-01-9.
What is the molecular formula of methyl 4-((((6-chloro-4-ethyl-7-hydroxy-2-oxo-2H-chromen-8-yl)methyl)amino)methyl)benzoate?
The molecular formula of methyl 4-((((6-chloro-4-ethyl-7-hydroxy-2-oxo-2H-chromen-8-yl)methyl)amino)methyl)benzoate is C21H20ClNO5.
What is the molecular weight of methyl 4-((((6-chloro-4-ethyl-7-hydroxy-2-oxo-2H-chromen-8-yl)methyl)amino)methyl)benzoate?
The molecular weight of methyl 4-((((6-chloro-4-ethyl-7-hydroxy-2-oxo-2H-chromen-8-yl)methyl)amino)methyl)benzoate is 401.10 g/mol.
Where can I buy methyl 4-((((6-chloro-4-ethyl-7-hydroxy-2-oxo-2H-chromen-8-yl)methyl)amino)methyl)benzoate?
You can request a quote for methyl 4-((((6-chloro-4-ethyl-7-hydroxy-2-oxo-2H-chromen-8-yl)methyl)amino)methyl)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-((((6-chloro-4-ethyl-7-hydroxy-2-oxo-2H-chromen-8-yl)methyl)amino)methyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-((((6-chloro-4-ethyl-7-hydroxy-2-oxo-2H-chromen-8-yl)methyl)amino)methyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.