2-methoxyethyl 2-amino-4-(3,4-difluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
TL;DR: 2-methoxyethyl 2-amino-4-(3,4-difluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate (CAS 445382-17-2) is a chemical compound with molecular formula C21H23F2NO5 and molecular weight 407.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxyethyl 2-amino-4-(3,4-difluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate
Also Known As: 2-methoxyethyl 2-amino-4-(3,4-difluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, BAS 07417212, AM-807/14146214, 2-methoxyethyl 2-amino-4-(3,4-difluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate, 2-methoxyethyl 2-amino-4-(3,4-difluorophenyl)-7,7-dimethyl-5-oxo-4H-6,7,8-trih ydrochromene-3-carboxylate
| Molecular Formula | C21H23F2NO5 |
|---|---|
| Molecular Weight | 407.15 g/mol |
| LogP | 3.0817 |
| Topological Polar Surface Area | 87.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.15442 |
| Heavy Atoms | 29 |
| Complexity | 919.6466 |
Chemical Identifiers
| CAS Number | 445382-17-2 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(O2)N)C(=O)OCCOC)C3=CC(=C(C=C3)F)F)C(=O)C1)C |
Product Overview
2-methoxyethyl 2-amino-4-(3,4-difluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate (CAS 445382-17-2), with molecular formula C21H23F2NO5 and molecular weight 407.15 g/mol. IUPAC: 2-methoxyethyl 2-amino-4-(3,4-difluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate.
Chemical Property Profile of 2-methoxyethyl 2-amino-4-(3,4-difluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
Property Insights of 2-methoxyethyl 2-amino-4-(3,4-difluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
The XLogP value of 3.0817 indicates that 2-methoxyethyl 2-amino-4-(3,4-difluorophenyl)-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 2-methoxyethyl 2-amino-4-(3,4-difluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate. Following Lipinski's Rule of Five, 2-methoxyethyl 2-amino-4-(3,4-difluorophenyl)-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 2-methoxyethyl 2-amino-4-(3,4-difluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate?
The CAS number of 2-methoxyethyl 2-amino-4-(3,4-difluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate is 445382-17-2.
What is the molecular formula of 2-methoxyethyl 2-amino-4-(3,4-difluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate?
The molecular formula of 2-methoxyethyl 2-amino-4-(3,4-difluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate is C21H23F2NO5.
What is the molecular weight of 2-methoxyethyl 2-amino-4-(3,4-difluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate?
The molecular weight of 2-methoxyethyl 2-amino-4-(3,4-difluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate is 407.15 g/mol.
Where can I buy 2-methoxyethyl 2-amino-4-(3,4-difluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate?
You can request a quote for 2-methoxyethyl 2-amino-4-(3,4-difluorophenyl)-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 2-methoxyethyl 2-amino-4-(3,4-difluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-methoxyethyl 2-amino-4-(3,4-difluorophenyl)-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.