(E)-methyl 4-((2-cyano-3-((4-fluorophenyl)amino)-3-oxoprop-1-en-1-yl)amino)benzoate
TL;DR: (E)-methyl 4-((2-cyano-3-((4-fluorophenyl)amino)-3-oxoprop-1-en-1-yl)amino)benzoate (CAS 885183-91-5) is a chemical compound with molecular formula C18H14FN3O3 and molecular weight 339.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[(E)-2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]amino]benzoate
Also Known As: (E)-methyl 4-((2-cyano-3-((4-fluorophenyl)amino)-3-oxoprop-1-en-1-yl)amino)benzoate, methyl 4-[[(E)-2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]amino]benzoate
| Molecular Formula | C18H14FN3O3 |
|---|---|
| Molecular Weight | 339.10 g/mol |
| LogP | 3.07038 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.10193 |
| Heavy Atoms | 25 |
| Complexity | 837.3652 |
Chemical Identifiers
| CAS Number | 885183-91-5 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)N/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)F |
Product Overview
(E)-methyl 4-((2-cyano-3-((4-fluorophenyl)amino)-3-oxoprop-1-en-1-yl)amino)benzoate (CAS 885183-91-5), with molecular formula C18H14FN3O3 and molecular weight 339.10 g/mol. IUPAC: methyl 4-[[(E)-2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]amino]benzoate.
Chemical Property Profile of (E)-methyl 4-((2-cyano-3-((4-fluorophenyl)amino)-3-oxoprop-1-en-1-yl)amino)benzoate
Property Insights of (E)-methyl 4-((2-cyano-3-((4-fluorophenyl)amino)-3-oxoprop-1-en-1-yl)amino)benzoate
The XLogP value of 3.07038 indicates that (E)-methyl 4-((2-cyano-3-((4-fluorophenyl)amino)-3-oxoprop-1-en-1-yl)amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.22 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 4-((2-cyano-3-((4-fluorophenyl)amino)-3-oxoprop-1-en-1-yl)amino)benzoate. Following Lipinski's Rule of Five, (E)-methyl 4-((2-cyano-3-((4-fluorophenyl)amino)-3-oxoprop-1-en-1-yl)amino)benzoate has 2 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 (E)-methyl 4-((2-cyano-3-((4-fluorophenyl)amino)-3-oxoprop-1-en-1-yl)amino)benzoate?
The CAS number of (E)-methyl 4-((2-cyano-3-((4-fluorophenyl)amino)-3-oxoprop-1-en-1-yl)amino)benzoate is 885183-91-5.
What is the molecular formula of (E)-methyl 4-((2-cyano-3-((4-fluorophenyl)amino)-3-oxoprop-1-en-1-yl)amino)benzoate?
The molecular formula of (E)-methyl 4-((2-cyano-3-((4-fluorophenyl)amino)-3-oxoprop-1-en-1-yl)amino)benzoate is C18H14FN3O3.
What is the molecular weight of (E)-methyl 4-((2-cyano-3-((4-fluorophenyl)amino)-3-oxoprop-1-en-1-yl)amino)benzoate?
The molecular weight of (E)-methyl 4-((2-cyano-3-((4-fluorophenyl)amino)-3-oxoprop-1-en-1-yl)amino)benzoate is 339.10 g/mol.
Where can I buy (E)-methyl 4-((2-cyano-3-((4-fluorophenyl)amino)-3-oxoprop-1-en-1-yl)amino)benzoate?
You can request a quote for (E)-methyl 4-((2-cyano-3-((4-fluorophenyl)amino)-3-oxoprop-1-en-1-yl)amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-methyl 4-((2-cyano-3-((4-fluorophenyl)amino)-3-oxoprop-1-en-1-yl)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 4-((2-cyano-3-((4-fluorophenyl)amino)-3-oxoprop-1-en-1-yl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.