![methyl 2-[[(E)-3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoate structure](/static/products/3804/380424-36-2.webp)
methyl 2-[[(E)-3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoate
TL;DR: methyl 2-[[(E)-3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoate (CAS 380424-36-2) is a chemical compound with molecular formula C19H15BrN2O4 and molecular weight 414.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(E)-3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoate
Also Known As: methyl 2-[[(E)-3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoate, methyl 2-{[(2E)-3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enoyl]amino}benzoate, (E)-methyl 2-(3-(3-bromo-4-methoxyphenyl)-2-cyanoacrylamido)benzoate, methyl 2-[(2E)-3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enoylamino]benzoate, Methyl 2-[[3-(3-bromo-4-methoxy-phenyl)-2-cyano-prop-2-enoyl]amino]benzoate
| Molecular Formula | C19H15BrN2O4 |
|---|---|
| Molecular Weight | 414.02 g/mol |
| LogP | 3.78998 |
| Topological Polar Surface Area | 88.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.0215 |
| Heavy Atoms | 26 |
| Complexity | 915.9954 |
Chemical Identifiers
| CAS Number | 380424-36-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=CC=C2C(=O)OC)Br |
Product Overview
methyl 2-[[(E)-3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoate (CAS 380424-36-2), with molecular formula C19H15BrN2O4 and molecular weight 414.02 g/mol. IUPAC: methyl 2-[[(E)-3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoate.
Chemical Property Profile of methyl 2-[[(E)-3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoate
Property Insights of methyl 2-[[(E)-3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoate
The XLogP value of 3.78998 indicates that methyl 2-[[(E)-3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.42 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[[(E)-3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoate. Following Lipinski's Rule of Five, methyl 2-[[(E)-3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoate has 1 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 methyl 2-[[(E)-3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoate?
The CAS number of methyl 2-[[(E)-3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoate is 380424-36-2.
What is the molecular formula of methyl 2-[[(E)-3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoate?
The molecular formula of methyl 2-[[(E)-3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoate is C19H15BrN2O4.
What is the molecular weight of methyl 2-[[(E)-3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoate?
The molecular weight of methyl 2-[[(E)-3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoate is 414.02 g/mol.
Where can I buy methyl 2-[[(E)-3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoate?
You can request a quote for methyl 2-[[(E)-3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-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-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[[(E)-3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.