(E)-3-(3-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
TL;DR: (E)-3-(3-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one (CAS 127034-05-3) is a chemical compound with molecular formula C18H17NO6 and molecular weight 343.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Also Known As: 3-Nitro-3 ,4 ,5 -trimethoxy-trans-chalcone, 3-(3-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)-2-propen-1-one, (E)-3-(3-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one, 3-(3-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one, (2E)-3-(3-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
| Molecular Formula | C18H17NO6 |
|---|---|
| Molecular Weight | 343.11 g/mol |
| LogP | 3.5167 |
| Topological Polar Surface Area | 87.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 343.1056 |
| Heavy Atoms | 25 |
| Complexity | 803.06116 |
Chemical Identifiers
| CAS Number | 127034-05-3 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
(E)-3-(3-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one (CAS 127034-05-3), with molecular formula C18H17NO6 and molecular weight 343.11 g/mol. IUPAC: (E)-3-(3-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one.
Chemical Property Profile of (E)-3-(3-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Property Insights of (E)-3-(3-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
The XLogP value of 3.5167 indicates that (E)-3-(3-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(3-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one. Following Lipinski's Rule of Five, (E)-3-(3-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one 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 (E)-3-(3-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one?
The CAS number of (E)-3-(3-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one is 127034-05-3.
What is the molecular formula of (E)-3-(3-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one?
The molecular formula of (E)-3-(3-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one is C18H17NO6.
What is the molecular weight of (E)-3-(3-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one?
The molecular weight of (E)-3-(3-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one is 343.11 g/mol.
Where can I buy (E)-3-(3-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one?
You can request a quote for (E)-3-(3-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)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 (E)-3-(3-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(3-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.