(E)-4-(3-(4-bromophenyl)-3-oxoprop-1-en-1-yl)-2-methoxyphenyl nicotinate
TL;DR: (E)-4-(3-(4-bromophenyl)-3-oxoprop-1-en-1-yl)-2-methoxyphenyl nicotinate (CAS 403830-32-0) is a chemical compound with molecular formula C22H16BrNO4 and molecular weight 437.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] pyridine-3-carboxylate
Also Known As: F1006-0101, (E)-4-(3-(4-bromophenyl)-3-oxoprop-1-en-1-yl)-2-methoxyphenyl nicotinate, 4-[(1E)-3-(4-bromophenyl)-3-oxoprop-1-en-1-yl]-2-methoxyphenyl pyridine-3-carboxylate, [4-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] pyridine-3-carboxylate, 4-[(E)-2-(p-bromobenzoyl)-1-ethenyl]-2-methoxyphenyl nicotinate
| Molecular Formula | C22H16BrNO4 |
|---|---|
| Molecular Weight | 437.03 g/mol |
| LogP | 4.968 |
| Topological Polar Surface Area | 65.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 437.02628 |
| Heavy Atoms | 28 |
| Complexity | 1014.46655 |
Chemical Identifiers
| CAS Number | 403830-32-0 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)Br)OC(=O)C3=CN=CC=C3 |
Product Overview
(E)-4-(3-(4-bromophenyl)-3-oxoprop-1-en-1-yl)-2-methoxyphenyl nicotinate (CAS 403830-32-0), with molecular formula C22H16BrNO4 and molecular weight 437.03 g/mol. IUPAC: [4-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] pyridine-3-carboxylate.
Chemical Property Profile of (E)-4-(3-(4-bromophenyl)-3-oxoprop-1-en-1-yl)-2-methoxyphenyl nicotinate
Property Insights of (E)-4-(3-(4-bromophenyl)-3-oxoprop-1-en-1-yl)-2-methoxyphenyl nicotinate
The XLogP value of 4.968 indicates that (E)-4-(3-(4-bromophenyl)-3-oxoprop-1-en-1-yl)-2-methoxyphenyl nicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.49 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-(3-(4-bromophenyl)-3-oxoprop-1-en-1-yl)-2-methoxyphenyl nicotinate. Following Lipinski's Rule of Five, (E)-4-(3-(4-bromophenyl)-3-oxoprop-1-en-1-yl)-2-methoxyphenyl nicotinate has 0 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 (E)-4-(3-(4-bromophenyl)-3-oxoprop-1-en-1-yl)-2-methoxyphenyl nicotinate?
The CAS number of (E)-4-(3-(4-bromophenyl)-3-oxoprop-1-en-1-yl)-2-methoxyphenyl nicotinate is 403830-32-0.
What is the molecular formula of (E)-4-(3-(4-bromophenyl)-3-oxoprop-1-en-1-yl)-2-methoxyphenyl nicotinate?
The molecular formula of (E)-4-(3-(4-bromophenyl)-3-oxoprop-1-en-1-yl)-2-methoxyphenyl nicotinate is C22H16BrNO4.
What is the molecular weight of (E)-4-(3-(4-bromophenyl)-3-oxoprop-1-en-1-yl)-2-methoxyphenyl nicotinate?
The molecular weight of (E)-4-(3-(4-bromophenyl)-3-oxoprop-1-en-1-yl)-2-methoxyphenyl nicotinate is 437.03 g/mol.
Where can I buy (E)-4-(3-(4-bromophenyl)-3-oxoprop-1-en-1-yl)-2-methoxyphenyl nicotinate?
You can request a quote for (E)-4-(3-(4-bromophenyl)-3-oxoprop-1-en-1-yl)-2-methoxyphenyl nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-(3-(4-bromophenyl)-3-oxoprop-1-en-1-yl)-2-methoxyphenyl nicotinate?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(3-(4-bromophenyl)-3-oxoprop-1-en-1-yl)-2-methoxyphenyl nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.