(E)-1-(benzimidazol-1-yl)-3-(3-nitrophenyl)prop-2-en-1-one
TL;DR: (E)-1-(benzimidazol-1-yl)-3-(3-nitrophenyl)prop-2-en-1-one (CAS 71322-75-3) is a chemical compound with molecular formula C16H11N3O3 and molecular weight 293.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(benzimidazol-1-yl)-3-(3-nitrophenyl)prop-2-en-1-one
Also Known As: BAS 00503040, (E)-1-(benzimidazol-1-yl)-3-(3-nitrophenyl)prop-2-en-1-one, 1-(3-{3-nitrophenyl}acryloyl)-1H-benzimidazole, 1-Benzoimidazol-1-yl-3-(3-nitro-phenyl)-propenone, (2E)-1-benzimidazolyl-3-(3-nitrophenyl)prop-2-en-1-one
| Molecular Formula | C16H11N3O3 |
|---|---|
| Molecular Weight | 293.08 g/mol |
| LogP | 3.2981 |
| Topological Polar Surface Area | 78.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.08005 |
| Heavy Atoms | 22 |
| Complexity | 896.29724 |
Chemical Identifiers
| CAS Number | 71322-75-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=CN2C(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
(E)-1-(benzimidazol-1-yl)-3-(3-nitrophenyl)prop-2-en-1-one (CAS 71322-75-3), with molecular formula C16H11N3O3 and molecular weight 293.08 g/mol. IUPAC: (E)-1-(benzimidazol-1-yl)-3-(3-nitrophenyl)prop-2-en-1-one.
Chemical Property Profile of (E)-1-(benzimidazol-1-yl)-3-(3-nitrophenyl)prop-2-en-1-one
Property Insights of (E)-1-(benzimidazol-1-yl)-3-(3-nitrophenyl)prop-2-en-1-one
The XLogP value of 3.2981 indicates that (E)-1-(benzimidazol-1-yl)-3-(3-nitrophenyl)prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.03 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-1-(benzimidazol-1-yl)-3-(3-nitrophenyl)prop-2-en-1-one. Following Lipinski's Rule of Five, (E)-1-(benzimidazol-1-yl)-3-(3-nitrophenyl)prop-2-en-1-one has 0 hydrogen bond donor(s) and 4 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)-1-(benzimidazol-1-yl)-3-(3-nitrophenyl)prop-2-en-1-one?
The CAS number of (E)-1-(benzimidazol-1-yl)-3-(3-nitrophenyl)prop-2-en-1-one is 71322-75-3.
What is the molecular formula of (E)-1-(benzimidazol-1-yl)-3-(3-nitrophenyl)prop-2-en-1-one?
The molecular formula of (E)-1-(benzimidazol-1-yl)-3-(3-nitrophenyl)prop-2-en-1-one is C16H11N3O3.
What is the molecular weight of (E)-1-(benzimidazol-1-yl)-3-(3-nitrophenyl)prop-2-en-1-one?
The molecular weight of (E)-1-(benzimidazol-1-yl)-3-(3-nitrophenyl)prop-2-en-1-one is 293.08 g/mol.
Where can I buy (E)-1-(benzimidazol-1-yl)-3-(3-nitrophenyl)prop-2-en-1-one?
You can request a quote for (E)-1-(benzimidazol-1-yl)-3-(3-nitrophenyl)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)-1-(benzimidazol-1-yl)-3-(3-nitrophenyl)prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(benzimidazol-1-yl)-3-(3-nitrophenyl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.