![Methyl 2-[3-(3-bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enamido]benzoate structure](/static/products/3804/380477-72-5.webp)
Methyl 2-[3-(3-bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enamido]benzoate
TL;DR: Methyl 2-[3-(3-bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enamido]benzoate (CAS 380477-72-5) is a chemical compound with molecular formula C20H17BrN2O5 and molecular weight 444.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(Z)-3-(3-bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoate
Also Known As: methyl 2-[3-(3-bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enamido]benzoate, Methyl 2-[[(Z)-3-(3-bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoate
| Molecular Formula | C20H17BrN2O5 |
|---|---|
| Molecular Weight | 444.03 g/mol |
| LogP | 3.79858 |
| Topological Polar Surface Area | 97.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.03207 |
| Heavy Atoms | 28 |
| Complexity | 979.0467 |
Chemical Identifiers
| CAS Number | 380477-72-5 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)/C=C(/C#N)\C(=O)NC2=CC=CC=C2C(=O)OC)Br)OC |
Product Overview
Methyl 2-[3-(3-bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enamido]benzoate (CAS 380477-72-5), with molecular formula C20H17BrN2O5 and molecular weight 444.03 g/mol. IUPAC: methyl 2-[[(Z)-3-(3-bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoate.
Chemical Property Profile of Methyl 2-[3-(3-bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enamido]benzoate
Property Insights of Methyl 2-[3-(3-bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enamido]benzoate
The XLogP value of 3.79858 indicates that Methyl 2-[3-(3-bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enamido]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.65 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[3-(3-bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enamido]benzoate. Following Lipinski's Rule of Five, Methyl 2-[3-(3-bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enamido]benzoate has 1 hydrogen bond donor(s) and 6 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-[3-(3-bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enamido]benzoate?
The CAS number of Methyl 2-[3-(3-bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enamido]benzoate is 380477-72-5.
What is the molecular formula of Methyl 2-[3-(3-bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enamido]benzoate?
The molecular formula of Methyl 2-[3-(3-bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enamido]benzoate is C20H17BrN2O5.
What is the molecular weight of Methyl 2-[3-(3-bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enamido]benzoate?
The molecular weight of Methyl 2-[3-(3-bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enamido]benzoate is 444.03 g/mol.
Where can I buy Methyl 2-[3-(3-bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enamido]benzoate?
You can request a quote for Methyl 2-[3-(3-bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enamido]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-[3-(3-bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enamido]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[3-(3-bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enamido]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.