![methyl 4-{[(1E)-3-(3,4-dichlorophenyl)-3-oxoprop-1-en-1-yl]amino}benzoate structure](/static/products/404/404591-12-4.png)
methyl 4-{[(1E)-3-(3,4-dichlorophenyl)-3-oxoprop-1-en-1-yl]amino}benzoate
TL;DR: methyl 4-{[(1E)-3-(3,4-dichlorophenyl)-3-oxoprop-1-en-1-yl]amino}benzoate (CAS 404591-12-4) is a chemical compound with molecular formula C17H13Cl2NO3 and molecular weight 349.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[(E)-3-(3,4-dichlorophenyl)-3-oxoprop-1-enyl]amino]benzoate
Also Known As: AB01331519-02, methyl 4-[[(E)-3-(3,4-dichlorophenyl)-3-oxoprop-1-enyl]amino]benzoate, (E)-methyl 4-((3-(3,4-dichlorophenyl)-3-oxoprop-1-en-1-yl)amino)benzoate, methyl 4-{[(1E)-3-(3,4-dichlorophenyl)-3-oxoprop-1-en-1-yl]amino}benzoate
| Molecular Formula | C17H13Cl2NO3 |
|---|---|
| Molecular Weight | 349.03 g/mol |
| LogP | 4.5885 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.02725 |
| Heavy Atoms | 23 |
| Complexity | 754.93384 |
Chemical Identifiers
| CAS Number | 404591-12-4 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)N/C=C/C(=O)C2=CC(=C(C=C2)Cl)Cl |
Product Overview
methyl 4-{[(1E)-3-(3,4-dichlorophenyl)-3-oxoprop-1-en-1-yl]amino}benzoate (CAS 404591-12-4), with molecular formula C17H13Cl2NO3 and molecular weight 349.03 g/mol. IUPAC: methyl 4-[[(E)-3-(3,4-dichlorophenyl)-3-oxoprop-1-enyl]amino]benzoate.
Chemical Property Profile of methyl 4-{[(1E)-3-(3,4-dichlorophenyl)-3-oxoprop-1-en-1-yl]amino}benzoate
Property Insights of methyl 4-{[(1E)-3-(3,4-dichlorophenyl)-3-oxoprop-1-en-1-yl]amino}benzoate
The XLogP value of 4.5885 indicates that methyl 4-{[(1E)-3-(3,4-dichlorophenyl)-3-oxoprop-1-en-1-yl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, methyl 4-{[(1E)-3-(3,4-dichlorophenyl)-3-oxoprop-1-en-1-yl]amino}benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4-{[(1E)-3-(3,4-dichlorophenyl)-3-oxoprop-1-en-1-yl]amino}benzoate has 1 hydrogen bond donor(s) and 4 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 methyl 4-{[(1E)-3-(3,4-dichlorophenyl)-3-oxoprop-1-en-1-yl]amino}benzoate?
The CAS number of methyl 4-{[(1E)-3-(3,4-dichlorophenyl)-3-oxoprop-1-en-1-yl]amino}benzoate is 404591-12-4.
What is the molecular formula of methyl 4-{[(1E)-3-(3,4-dichlorophenyl)-3-oxoprop-1-en-1-yl]amino}benzoate?
The molecular formula of methyl 4-{[(1E)-3-(3,4-dichlorophenyl)-3-oxoprop-1-en-1-yl]amino}benzoate is C17H13Cl2NO3.
What is the molecular weight of methyl 4-{[(1E)-3-(3,4-dichlorophenyl)-3-oxoprop-1-en-1-yl]amino}benzoate?
The molecular weight of methyl 4-{[(1E)-3-(3,4-dichlorophenyl)-3-oxoprop-1-en-1-yl]amino}benzoate is 349.03 g/mol.
Where can I buy methyl 4-{[(1E)-3-(3,4-dichlorophenyl)-3-oxoprop-1-en-1-yl]amino}benzoate?
You can request a quote for methyl 4-{[(1E)-3-(3,4-dichlorophenyl)-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 methyl 4-{[(1E)-3-(3,4-dichlorophenyl)-3-oxoprop-1-en-1-yl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-{[(1E)-3-(3,4-dichlorophenyl)-3-oxoprop-1-en-1-yl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.