![3-[4-(1H-imidazol-1-yl)phenyl]-3-oxopropanamide structure](/static/products/4000/400074-60-4.webp)
3-[4-(1H-imidazol-1-yl)phenyl]-3-oxopropanamide
TL;DR: 3-[4-(1H-imidazol-1-yl)phenyl]-3-oxopropanamide (CAS 400074-60-4) is a chemical compound with molecular formula C12H11N3O2 and molecular weight 229.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-imidazol-1-ylphenyl)-3-oxopropanamide
Also Known As: 3-[4-(1H-imidazol-1-yl)phenyl]-3-oxopropanamide, 3-(4-imidazol-1-ylphenyl)-3-oxopropanamide, 11A-053, 4-(1H-Imidazol-1-yl)-I(2)-oxobenzenepropanamide
| Molecular Formula | C12H11N3O2 |
|---|---|
| Molecular Weight | 229.09 g/mol |
| LogP | 0.9304 |
| Topological Polar Surface Area | 77.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 229.08513 |
| Heavy Atoms | 17 |
| Complexity | 529.3882 |
Chemical Identifiers
| CAS Number | 400074-60-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)CC(=O)N)N2C=CN=C2 |
Product Overview
3-[4-(1H-imidazol-1-yl)phenyl]-3-oxopropanamide (CAS 400074-60-4), with molecular formula C12H11N3O2 and molecular weight 229.09 g/mol. IUPAC: 3-(4-imidazol-1-ylphenyl)-3-oxopropanamide.
Chemical Property Profile of 3-[4-(1H-imidazol-1-yl)phenyl]-3-oxopropanamide
Property Insights of 3-[4-(1H-imidazol-1-yl)phenyl]-3-oxopropanamide
The XLogP value of 0.9304 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[4-(1H-imidazol-1-yl)phenyl]-3-oxopropanamide. The TPSA of 77.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[4-(1H-imidazol-1-yl)phenyl]-3-oxopropanamide. Following Lipinski's Rule of Five, 3-[4-(1H-imidazol-1-yl)phenyl]-3-oxopropanamide has 1 hydrogen bond donor(s) and 3 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-(1H-imidazol-1-yl)phenyl]-3-oxopropanamide?
The CAS number of 3-[4-(1H-imidazol-1-yl)phenyl]-3-oxopropanamide is 400074-60-4.
What is the molecular formula of 3-[4-(1H-imidazol-1-yl)phenyl]-3-oxopropanamide?
The molecular formula of 3-[4-(1H-imidazol-1-yl)phenyl]-3-oxopropanamide is C12H11N3O2.
What is the molecular weight of 3-[4-(1H-imidazol-1-yl)phenyl]-3-oxopropanamide?
The molecular weight of 3-[4-(1H-imidazol-1-yl)phenyl]-3-oxopropanamide is 229.09 g/mol.
Where can I buy 3-[4-(1H-imidazol-1-yl)phenyl]-3-oxopropanamide?
You can request a quote for 3-[4-(1H-imidazol-1-yl)phenyl]-3-oxopropanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-(1H-imidazol-1-yl)phenyl]-3-oxopropanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(1H-imidazol-1-yl)phenyl]-3-oxopropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.