![methyl 4-[(2E)-3-(2-chlorophenyl)prop-2-enoylamino]benzoate structure](/static/products/5366/5366-41-6.webp)
methyl 4-[(2E)-3-(2-chlorophenyl)prop-2-enoylamino]benzoate
TL;DR: methyl 4-[(2E)-3-(2-chlorophenyl)prop-2-enoylamino]benzoate (CAS 5366-41-6) 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 4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]benzoate
Also Known As: methyl 4-[(2E)-3-(2-chlorophenyl)prop-2-enoylamino]benzoate, methyl 4-{[3-(2-chlorophenyl)acryloyl]amino}benzoate, methyl 4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]benzoate, METHYL 4-[(2E)-3-(2-CHLOROPHENYL)PROP-2-ENAMIDO]BENZOATE
| Molecular Formula | C17H14ClNO3 |
|---|---|
| Molecular Weight | 315.07 g/mol |
| LogP | 3.7785 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.06622 |
| Heavy Atoms | 22 |
| Complexity | 708.09894 |
Chemical Identifiers
| CAS Number | 5366-41-6 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)/C=C/C2=CC=CC=C2Cl |
Product Overview
methyl 4-[(2E)-3-(2-chlorophenyl)prop-2-enoylamino]benzoate (CAS 5366-41-6), with molecular formula C17H14ClNO3 and molecular weight 315.07 g/mol. IUPAC: methyl 4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]benzoate.
Chemical Property Profile of methyl 4-[(2E)-3-(2-chlorophenyl)prop-2-enoylamino]benzoate
Property Insights of methyl 4-[(2E)-3-(2-chlorophenyl)prop-2-enoylamino]benzoate
The XLogP value of 3.7785 indicates that methyl 4-[(2E)-3-(2-chlorophenyl)prop-2-enoylamino]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-[(2E)-3-(2-chlorophenyl)prop-2-enoylamino]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4-[(2E)-3-(2-chlorophenyl)prop-2-enoylamino]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 4-[(2E)-3-(2-chlorophenyl)prop-2-enoylamino]benzoate?
The CAS number of methyl 4-[(2E)-3-(2-chlorophenyl)prop-2-enoylamino]benzoate is 5366-41-6.
What is the molecular formula of methyl 4-[(2E)-3-(2-chlorophenyl)prop-2-enoylamino]benzoate?
The molecular formula of methyl 4-[(2E)-3-(2-chlorophenyl)prop-2-enoylamino]benzoate is C17H14ClNO3.
What is the molecular weight of methyl 4-[(2E)-3-(2-chlorophenyl)prop-2-enoylamino]benzoate?
The molecular weight of methyl 4-[(2E)-3-(2-chlorophenyl)prop-2-enoylamino]benzoate is 315.07 g/mol.
Where can I buy methyl 4-[(2E)-3-(2-chlorophenyl)prop-2-enoylamino]benzoate?
You can request a quote for methyl 4-[(2E)-3-(2-chlorophenyl)prop-2-enoylamino]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-[(2E)-3-(2-chlorophenyl)prop-2-enoylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[(2E)-3-(2-chlorophenyl)prop-2-enoylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.