![4-[(1E)-2-cyano-3-methoxy-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 2-bromobenzoate structure](/static/products/469/469875-69-2.png)
4-[(1E)-2-cyano-3-methoxy-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 2-bromobenzoate
TL;DR: 4-[(1E)-2-cyano-3-methoxy-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 2-bromobenzoate (CAS 469875-69-2) is a chemical compound with molecular formula C19H14BrNO5 and molecular weight 415.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]-2-methoxyphenyl] 2-bromobenzoate
Also Known As: 4-[(1E)-2-cyano-3-methoxy-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 2-bromobenzoate, (E)-4-(2-cyano-3-methoxy-3-oxoprop-1-en-1-yl)-2-methoxyphenyl 2-bromobenzoate, [4-[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]-2-methoxyphenyl] 2-bromobenzoate, methyl (2E)-3-[4-(2-bromophenylcarbonyloxy)-3-methoxyphenyl]-2-cyanoprop-2-eno ate
| Molecular Formula | C19H14BrNO5 |
|---|---|
| Molecular Weight | 415.01 g/mol |
| LogP | 3.75688 |
| Topological Polar Surface Area | 85.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 415.00555 |
| Heavy Atoms | 26 |
| Complexity | 914.38574 |
Chemical Identifiers
| CAS Number | 469875-69-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)OC)OC(=O)C2=CC=CC=C2Br |
Product Overview
4-[(1E)-2-cyano-3-methoxy-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 2-bromobenzoate (CAS 469875-69-2), with molecular formula C19H14BrNO5 and molecular weight 415.01 g/mol. IUPAC: [4-[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]-2-methoxyphenyl] 2-bromobenzoate.
Chemical Property Profile of 4-[(1E)-2-cyano-3-methoxy-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 2-bromobenzoate
Property Insights of 4-[(1E)-2-cyano-3-methoxy-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 2-bromobenzoate
The XLogP value of 3.75688 indicates that 4-[(1E)-2-cyano-3-methoxy-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 2-bromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(1E)-2-cyano-3-methoxy-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 2-bromobenzoate. Following Lipinski's Rule of Five, 4-[(1E)-2-cyano-3-methoxy-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 2-bromobenzoate has 0 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 4-[(1E)-2-cyano-3-methoxy-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 2-bromobenzoate?
The CAS number of 4-[(1E)-2-cyano-3-methoxy-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 2-bromobenzoate is 469875-69-2.
What is the molecular formula of 4-[(1E)-2-cyano-3-methoxy-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 2-bromobenzoate?
The molecular formula of 4-[(1E)-2-cyano-3-methoxy-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 2-bromobenzoate is C19H14BrNO5.
What is the molecular weight of 4-[(1E)-2-cyano-3-methoxy-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 2-bromobenzoate?
The molecular weight of 4-[(1E)-2-cyano-3-methoxy-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 2-bromobenzoate is 415.01 g/mol.
Where can I buy 4-[(1E)-2-cyano-3-methoxy-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 2-bromobenzoate?
You can request a quote for 4-[(1E)-2-cyano-3-methoxy-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 2-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(1E)-2-cyano-3-methoxy-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 2-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-[(1E)-2-cyano-3-methoxy-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 2-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.