ethyl 2-amino-4-(2-fluoro-5-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
TL;DR: ethyl 2-amino-4-(2-fluoro-5-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate (CAS 445266-56-8) is a chemical compound with molecular formula C21H24FNO5 and molecular weight 389.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-4-(2-fluoro-5-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate
Also Known As: ethyl 2-amino-4-(2-fluoro-5-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, BAS 07417656, AM-807/13104322, ethyl 2-amino-4-(2-fluoro-5-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate, ethyl 2-amino-4-(2-fluoro-5-methoxyphenyl)-7,7-dimethyl-5-oxo-4H-6,7,8-trihydr ochromene-3-carboxylate
| Molecular Formula | C21H24FNO5 |
|---|---|
| Molecular Weight | 389.16 g/mol |
| LogP | 3.3247 |
| Topological Polar Surface Area | 87.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.16385 |
| Heavy Atoms | 28 |
| Complexity | 900.05707 |
Chemical Identifiers
| CAS Number | 445266-56-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C(C1C3=C(C=CC(=C3)OC)F)C(=O)CC(C2)(C)C)N |
Product Overview
ethyl 2-amino-4-(2-fluoro-5-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate (CAS 445266-56-8), with molecular formula C21H24FNO5 and molecular weight 389.16 g/mol. IUPAC: ethyl 2-amino-4-(2-fluoro-5-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate.
Chemical Property Profile of ethyl 2-amino-4-(2-fluoro-5-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
Property Insights of ethyl 2-amino-4-(2-fluoro-5-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
The XLogP value of 3.3247 indicates that ethyl 2-amino-4-(2-fluoro-5-methoxyphenyl)-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 87.85 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-amino-4-(2-fluoro-5-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-amino-4-(2-fluoro-5-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate has 1 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 ethyl 2-amino-4-(2-fluoro-5-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate?
The CAS number of ethyl 2-amino-4-(2-fluoro-5-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate is 445266-56-8.
What is the molecular formula of ethyl 2-amino-4-(2-fluoro-5-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate?
The molecular formula of ethyl 2-amino-4-(2-fluoro-5-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate is C21H24FNO5.
What is the molecular weight of ethyl 2-amino-4-(2-fluoro-5-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate?
The molecular weight of ethyl 2-amino-4-(2-fluoro-5-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate is 389.16 g/mol.
Where can I buy ethyl 2-amino-4-(2-fluoro-5-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate?
You can request a quote for ethyl 2-amino-4-(2-fluoro-5-methoxyphenyl)-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-(2-fluoro-5-methoxyphenyl)-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-(2-fluoro-5-methoxyphenyl)-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.