3-(4-Methoxyanilino)-1-(4-pyrimidin-2-yloxyphenyl)prop-2-en-1-one
TL;DR: 3-(4-Methoxyanilino)-1-(4-pyrimidin-2-yloxyphenyl)prop-2-en-1-one (CAS 1164473-67-9) is a chemical compound with molecular formula C20H17N3O3 and molecular weight 347.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methoxyanilino)-1-(4-pyrimidin-2-yloxyphenyl)prop-2-en-1-one
Also Known As: 3-(4-methoxyanilino)-1-(4-pyrimidin-2-yloxyphenyl)prop-2-en-1-one, (E)-3-(4-methoxyanilino)-1-[4-(2-pyrimidinyloxy)phenyl]-2-propen-1-one
| Molecular Formula | C20H17N3O3 |
|---|---|
| Molecular Weight | 347.13 g/mol |
| LogP | 4.086 |
| Topological Polar Surface Area | 73.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 347.12698 |
| Heavy Atoms | 26 |
| Complexity | 876.4397 |
Chemical Identifiers
| CAS Number | 1164473-67-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC=CC(=O)C2=CC=C(C=C2)OC3=NC=CC=N3 |
Product Overview
3-(4-Methoxyanilino)-1-(4-pyrimidin-2-yloxyphenyl)prop-2-en-1-one (CAS 1164473-67-9), with molecular formula C20H17N3O3 and molecular weight 347.13 g/mol. IUPAC: 3-(4-methoxyanilino)-1-(4-pyrimidin-2-yloxyphenyl)prop-2-en-1-one.
Chemical Property Profile of 3-(4-Methoxyanilino)-1-(4-pyrimidin-2-yloxyphenyl)prop-2-en-1-one
Property Insights of 3-(4-Methoxyanilino)-1-(4-pyrimidin-2-yloxyphenyl)prop-2-en-1-one
The XLogP value of 4.086 indicates that 3-(4-Methoxyanilino)-1-(4-pyrimidin-2-yloxyphenyl)prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Methoxyanilino)-1-(4-pyrimidin-2-yloxyphenyl)prop-2-en-1-one. Following Lipinski's Rule of Five, 3-(4-Methoxyanilino)-1-(4-pyrimidin-2-yloxyphenyl)prop-2-en-1-one 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 3-(4-Methoxyanilino)-1-(4-pyrimidin-2-yloxyphenyl)prop-2-en-1-one?
The CAS number of 3-(4-Methoxyanilino)-1-(4-pyrimidin-2-yloxyphenyl)prop-2-en-1-one is 1164473-67-9.
What is the molecular formula of 3-(4-Methoxyanilino)-1-(4-pyrimidin-2-yloxyphenyl)prop-2-en-1-one?
The molecular formula of 3-(4-Methoxyanilino)-1-(4-pyrimidin-2-yloxyphenyl)prop-2-en-1-one is C20H17N3O3.
What is the molecular weight of 3-(4-Methoxyanilino)-1-(4-pyrimidin-2-yloxyphenyl)prop-2-en-1-one?
The molecular weight of 3-(4-Methoxyanilino)-1-(4-pyrimidin-2-yloxyphenyl)prop-2-en-1-one is 347.13 g/mol.
Where can I buy 3-(4-Methoxyanilino)-1-(4-pyrimidin-2-yloxyphenyl)prop-2-en-1-one?
You can request a quote for 3-(4-Methoxyanilino)-1-(4-pyrimidin-2-yloxyphenyl)prop-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Methoxyanilino)-1-(4-pyrimidin-2-yloxyphenyl)prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methoxyanilino)-1-(4-pyrimidin-2-yloxyphenyl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.