![ethyl 4-{[(E)-(4-bromophenyl)methylidene]amino}benzoate structure](/static/products/385/38570-97-7.png)
ethyl 4-{[(E)-(4-bromophenyl)methylidene]amino}benzoate
TL;DR: ethyl 4-{[(E)-(4-bromophenyl)methylidene]amino}benzoate (CAS 38570-97-7) is a chemical compound with molecular formula C16H14BrNO2 and molecular weight 331.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(4-bromophenyl)methylideneamino]benzoate
Also Known As: ethyl 4-[(4-bromobenzylidene)amino]benzoate, (E)-ethyl 4-((4-bromobenzylidene)amino)benzoate, ethyl 4-[(4-bromophenyl)methylideneamino]benzoate, ethyl 4-[(1E)-2-(4-bromophenyl)-1-azavinyl]benzoate, ethyl 4-{[(E)-(4-bromophenyl)methylidene]amino}benzoate
| Molecular Formula | C16H14BrNO2 |
|---|---|
| Molecular Weight | 331.02 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.02078 |
| Heavy Atoms | 20 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 38570-97-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N=CC2=CC=C(C=C2)Br |
| InChIKey | GHJZIZKKDBCAKV-UHFFFAOYSA-N |
Product Overview
ethyl 4-{[(E)-(4-bromophenyl)methylidene]amino}benzoate (CAS 38570-97-7), with molecular formula C16H14BrNO2 and molecular weight 331.02 g/mol. IUPAC: ethyl 4-[(4-bromophenyl)methylideneamino]benzoate.
Chemical Property Profile of ethyl 4-{[(E)-(4-bromophenyl)methylidene]amino}benzoate
Property Insights of ethyl 4-{[(E)-(4-bromophenyl)methylidene]amino}benzoate
The XLogP value of 4.1 indicates that ethyl 4-{[(E)-(4-bromophenyl)methylidene]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.7 Ų, ethyl 4-{[(E)-(4-bromophenyl)methylidene]amino}benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 4-{[(E)-(4-bromophenyl)methylidene]amino}benzoate has 0 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 ethyl 4-{[(E)-(4-bromophenyl)methylidene]amino}benzoate?
The CAS number of ethyl 4-{[(E)-(4-bromophenyl)methylidene]amino}benzoate is 38570-97-7.
What is the molecular formula of ethyl 4-{[(E)-(4-bromophenyl)methylidene]amino}benzoate?
The molecular formula of ethyl 4-{[(E)-(4-bromophenyl)methylidene]amino}benzoate is C16H14BrNO2.
What is the molecular weight of ethyl 4-{[(E)-(4-bromophenyl)methylidene]amino}benzoate?
The molecular weight of ethyl 4-{[(E)-(4-bromophenyl)methylidene]amino}benzoate is 331.02 g/mol.
Where can I buy ethyl 4-{[(E)-(4-bromophenyl)methylidene]amino}benzoate?
You can request a quote for ethyl 4-{[(E)-(4-bromophenyl)methylidene]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-{[(E)-(4-bromophenyl)methylidene]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-{[(E)-(4-bromophenyl)methylidene]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.