![methyl 4-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]benzoate structure](/static/products/5453/545397-32-8.webp)
methyl 4-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]benzoate
TL;DR: methyl 4-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]benzoate (CAS 545397-32-8) is a chemical compound with molecular formula C21H23NO3 and molecular weight 337.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]benzoate
Also Known As: (E)-methyl 4-(3-(4-(tert-butyl)phenyl)acrylamido)benzoate, methyl 4-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]benzoate, methyl 4-{[(2E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino}benzoate, methyl 4-{[3-(4-tert-butylphenyl)acryloyl]amino}benzoate, methyl 4-{(2E)-3-[4-(tert-butyl)phenyl]prop-2-enoylamino}benzoate
| Molecular Formula | C21H23NO3 |
|---|---|
| Molecular Weight | 337.17 g/mol |
| LogP | 4.4226 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.1678 |
| Heavy Atoms | 25 |
| Complexity | 766.2836 |
Chemical Identifiers
| CAS Number | 545397-32-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)/C=C/C(=O)NC2=CC=C(C=C2)C(=O)OC |
Product Overview
methyl 4-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]benzoate (CAS 545397-32-8), with molecular formula C21H23NO3 and molecular weight 337.17 g/mol. IUPAC: methyl 4-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]benzoate.
Chemical Property Profile of methyl 4-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]benzoate
Property Insights of methyl 4-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]benzoate
The XLogP value of 4.4226 indicates that methyl 4-[[(E)-3-(4-tert-butylphenyl)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 4-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4-[[(E)-3-(4-tert-butylphenyl)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 4-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]benzoate?
The CAS number of methyl 4-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]benzoate is 545397-32-8.
What is the molecular formula of methyl 4-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]benzoate?
The molecular formula of methyl 4-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]benzoate is C21H23NO3.
What is the molecular weight of methyl 4-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]benzoate?
The molecular weight of methyl 4-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]benzoate is 337.17 g/mol.
Where can I buy methyl 4-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]benzoate?
You can request a quote for methyl 4-[[(E)-3-(4-tert-butylphenyl)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 4-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[[(E)-3-(4-tert-butylphenyl)prop-2-enoyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.