![methyl 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzoate structure](/static/products/3216/321674-87-7.webp)
methyl 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzoate
TL;DR: methyl 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzoate (CAS 321674-87-7) is a chemical compound with molecular formula C17H14ClNO3 and molecular weight 315.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzoate
Also Known As: methyl 2-{[3-(4-chlorophenyl)acryloyl]amino}benzoate, Methyl 2-[[(2E)-3-(4-chlorophenyl)-1-oxo-2-propen-1-yl]amino]benzoate, methyl 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzoate, methyl 2-[(2E)-3-(4-chlorophenyl)prop-2-enoylamino]benzoate, trans-4-chlorocinnamic acid-N-(2-methoxycarbonyl-phenyl)-amide
| Molecular Formula | C17H14ClNO3 |
|---|---|
| Molecular Weight | 315.07 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 315.06622 |
| Heavy Atoms | 22 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 321674-87-7 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)/C=C/C2=CC=C(C=C2)Cl |
| InChIKey | INVNPXBLEIKLJV-DHZHZOJOSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
methyl 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzoate (CAS 321674-87-7), with molecular formula C17H14ClNO3 and molecular weight 315.07 g/mol. IUPAC: methyl 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzoate.
Chemical Property Profile of methyl 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzoate
Property Insights of methyl 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzoate
The XLogP value of 4.4 indicates that methyl 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]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 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzoate has 1 hydrogen bond donor(s) and 3 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 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzoate?
The CAS number of methyl 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzoate is 321674-87-7.
What is the molecular formula of methyl 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzoate?
The molecular formula of methyl 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzoate is C17H14ClNO3.
What is the molecular weight of methyl 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzoate?
The molecular weight of methyl 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzoate is 315.07 g/mol.
Where can I buy methyl 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzoate?
You can request a quote for methyl 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]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 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.