ethyl 2-amino-4-(4-bromo-3-fluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
TL;DR: ethyl 2-amino-4-(4-bromo-3-fluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate (CAS 352687-20-8) is a chemical compound with molecular formula C20H21BrFNO4 and molecular weight 437.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-4-(4-bromo-3-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate
Also Known As: ethyl 2-amino-4-(4-bromo-3-fluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, ethyl 2-amino-4-(4-bromo-3-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate
| Molecular Formula | C20H21BrFNO4 |
|---|---|
| Molecular Weight | 437.06 g/mol |
| LogP | 4.0786 |
| Topological Polar Surface Area | 78.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 437.0638 |
| Heavy Atoms | 27 |
| Complexity | 887.96796 |
Chemical Identifiers
| CAS Number | 352687-20-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C(C1C3=CC(=C(C=C3)Br)F)C(=O)CC(C2)(C)C)N |
Product Overview
ethyl 2-amino-4-(4-bromo-3-fluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate (CAS 352687-20-8), with molecular formula C20H21BrFNO4 and molecular weight 437.06 g/mol. IUPAC: ethyl 2-amino-4-(4-bromo-3-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate.
Chemical Property Profile of ethyl 2-amino-4-(4-bromo-3-fluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
Property Insights of ethyl 2-amino-4-(4-bromo-3-fluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
The XLogP value of 4.0786 indicates that ethyl 2-amino-4-(4-bromo-3-fluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.62 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-amino-4-(4-bromo-3-fluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-amino-4-(4-bromo-3-fluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate has 1 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-amino-4-(4-bromo-3-fluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate?
The CAS number of ethyl 2-amino-4-(4-bromo-3-fluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate is 352687-20-8.
What is the molecular formula of ethyl 2-amino-4-(4-bromo-3-fluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate?
The molecular formula of ethyl 2-amino-4-(4-bromo-3-fluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate is C20H21BrFNO4.
What is the molecular weight of ethyl 2-amino-4-(4-bromo-3-fluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate?
The molecular weight of ethyl 2-amino-4-(4-bromo-3-fluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate is 437.06 g/mol.
Where can I buy ethyl 2-amino-4-(4-bromo-3-fluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate?
You can request a quote for ethyl 2-amino-4-(4-bromo-3-fluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-amino-4-(4-bromo-3-fluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-amino-4-(4-bromo-3-fluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.