4-(3-Amino-2-cyano-3-oxo-1-propen-1-yl)-2-methoxyphenyl 3,6-dichloro-2-methoxybenzoate
TL;DR: 4-(3-Amino-2-cyano-3-oxo-1-propen-1-yl)-2-methoxyphenyl 3,6-dichloro-2-methoxybenzoate (CAS 685861-80-7) is a chemical compound with molecular formula C19H14Cl2N2O5 and molecular weight 420.02798 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-(3-amino-2-cyano-3-oxoprop-1-enyl)-2-methoxyphenyl] 3,6-dichloro-2-methoxybenzoate
Also Known As: 4-(3-Amino-2-cyano-3-oxo-1-propen-1-yl)-2-methoxyphenyl 3,6-dichloro-2-methoxybenzoate, [4-(2-carbamoyl-2-cyano-ethenyl)-2-methoxy-phenyl] 3,6-dichloro-2-methoxy-benzoate, [4-(3-amino-2-cyano-3-oxoprop-1-enyl)-2-methoxyphenyl] 3,6-dichloro-2-methoxybenzoate, 4-(3-Amino-2-cyano-3-oxoprop-1-en-1-yl)-2-methoxyphenyl 3,6-dichloro-2-methoxybenzoate
Technical Specifications
| Molecular Formula | C19H14Cl2N2O5 |
| Molecular Weight | 420.02798 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 420.02798 Da |
| Heavy Atoms | 28 |
| Complexity | 662.0 |
| SMILES | COC1=C(C=CC(=C1)C=C(C#N)C(=O)N)OC(=O)C2=C(C=CC(=C2OC)Cl)Cl |
| InChIKey | HOFCQRGFJYPTIK-UHFFFAOYSA-N |
Chemical Property Profile of 4-(3-Amino-2-cyano-3-oxo-1-propen-1-yl)-2-methoxyphenyl 3,6-dichloro-2-methoxybenzoate
Property Insights of 4-(3-Amino-2-cyano-3-oxo-1-propen-1-yl)-2-methoxyphenyl 3,6-dichloro-2-methoxybenzoate
The XLogP value of 3.8 indicates that 4-(3-Amino-2-cyano-3-oxo-1-propen-1-yl)-2-methoxyphenyl 3,6-dichloro-2-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Amino-2-cyano-3-oxo-1-propen-1-yl)-2-methoxyphenyl 3,6-dichloro-2-methoxybenzoate. Following Lipinski's Rule of Five, 4-(3-Amino-2-cyano-3-oxo-1-propen-1-yl)-2-methoxyphenyl 3,6-dichloro-2-methoxybenzoate 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
What is the CAS number of 4-(3-Amino-2-cyano-3-oxo-1-propen-1-yl)-2-methoxyphenyl 3,6-dichloro-2-methoxybenzoate?
The CAS number of 4-(3-Amino-2-cyano-3-oxo-1-propen-1-yl)-2-methoxyphenyl 3,6-dichloro-2-methoxybenzoate is 685861-80-7.
What is the molecular formula of 4-(3-Amino-2-cyano-3-oxo-1-propen-1-yl)-2-methoxyphenyl 3,6-dichloro-2-methoxybenzoate?
The molecular formula of 4-(3-Amino-2-cyano-3-oxo-1-propen-1-yl)-2-methoxyphenyl 3,6-dichloro-2-methoxybenzoate is C19H14Cl2N2O5.
What is the molecular weight of 4-(3-Amino-2-cyano-3-oxo-1-propen-1-yl)-2-methoxyphenyl 3,6-dichloro-2-methoxybenzoate?
The molecular weight of 4-(3-Amino-2-cyano-3-oxo-1-propen-1-yl)-2-methoxyphenyl 3,6-dichloro-2-methoxybenzoate is 420.02798 g/mol.
Where can I buy 4-(3-Amino-2-cyano-3-oxo-1-propen-1-yl)-2-methoxyphenyl 3,6-dichloro-2-methoxybenzoate?
You can request a quote for 4-(3-Amino-2-cyano-3-oxo-1-propen-1-yl)-2-methoxyphenyl 3,6-dichloro-2-methoxybenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(3-Amino-2-cyano-3-oxo-1-propen-1-yl)-2-methoxyphenyl 3,6-dichloro-2-methoxybenzoate?
Yes, CoreyChem provides custom synthesis services for 4-(3-Amino-2-cyano-3-oxo-1-propen-1-yl)-2-methoxyphenyl 3,6-dichloro-2-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.