![methyl 4-{[(E)-(4-bromophenyl)methylidene]amino}benzoate structure](/static/products/391/39128-29-5.png)
methyl 4-{[(E)-(4-bromophenyl)methylidene]amino}benzoate
TL;DR: methyl 4-{[(E)-(4-bromophenyl)methylidene]amino}benzoate (CAS 39128-29-5) is a chemical compound with molecular formula C15H12BrNO2 and molecular weight 317.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(4-bromophenyl)methylideneamino]benzoate
Also Known As: methyl 4-((4-bromobenzylidene)amino)benzoate, methyl 4-[(4-bromobenzylidene)amino]benzoate, 1-heptyl-4-pyridin-4-ylpyridin-1-ium,bromide, methyl 4-[(4-bromophenyl)methylideneamino]benzoate, methyl 4-[(1E)-2-(4-bromophenyl)-1-azavinyl]benzoate
| Molecular Formula | C15H12BrNO2 |
|---|---|
| Molecular Weight | 317.01 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.00513 |
| Heavy Atoms | 19 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 39128-29-5 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)N=CC2=CC=C(C=C2)Br |
| InChIKey | AYCMLXGFKMNZRY-UHFFFAOYSA-N |
Product Overview
methyl 4-{[(E)-(4-bromophenyl)methylidene]amino}benzoate (CAS 39128-29-5), with molecular formula C15H12BrNO2 and molecular weight 317.01 g/mol. IUPAC: methyl 4-[(4-bromophenyl)methylideneamino]benzoate.
Chemical Property Profile of methyl 4-{[(E)-(4-bromophenyl)methylidene]amino}benzoate
Property Insights of methyl 4-{[(E)-(4-bromophenyl)methylidene]amino}benzoate
The XLogP value of 4.3 indicates that methyl 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, methyl 4-{[(E)-(4-bromophenyl)methylidene]amino}benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 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 methyl 4-{[(E)-(4-bromophenyl)methylidene]amino}benzoate?
The CAS number of methyl 4-{[(E)-(4-bromophenyl)methylidene]amino}benzoate is 39128-29-5.
What is the molecular formula of methyl 4-{[(E)-(4-bromophenyl)methylidene]amino}benzoate?
The molecular formula of methyl 4-{[(E)-(4-bromophenyl)methylidene]amino}benzoate is C15H12BrNO2.
What is the molecular weight of methyl 4-{[(E)-(4-bromophenyl)methylidene]amino}benzoate?
The molecular weight of methyl 4-{[(E)-(4-bromophenyl)methylidene]amino}benzoate is 317.01 g/mol.
Where can I buy methyl 4-{[(E)-(4-bromophenyl)methylidene]amino}benzoate?
You can request a quote for methyl 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 methyl 4-{[(E)-(4-bromophenyl)methylidene]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-{[(E)-(4-bromophenyl)methylidene]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.