Acetamide, N-[5-[(6-bromo-4-oxo-4H-1-benzopyran-3-yl)methyle
TL;DR: Acetamide, N-[5-[(6-bromo-4-oxo-4H-1-benzopyran-3-yl)methyle (CAS 247045-86-9) is a chemical compound with molecular formula C16H12BrN3O4 and molecular weight 389.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[(6-bromo-4-oxochromen-3-yl)methylidene]-1-methyl-4-oxoimidazol-2-yl]acetamide
Also Known As: Acetamide, N-[5-[(6-bromo-4-oxo-4H-1-benzopyran-3-yl)methyle, N-[5-[(6-bromo-4-oxochromen-3-yl)methylidene]-1-methyl-4-oxoimidazol-2-yl]acetamide
| Molecular Formula | C16H12BrN3O4 |
|---|---|
| Molecular Weight | 389.00 g/mol |
| LogP | 1.8605 |
| Topological Polar Surface Area | 91.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 389.00113 |
| Heavy Atoms | 24 |
| Complexity | 990.47034 |
Chemical Identifiers
| CAS Number | 247045-86-9 |
|---|---|
| SMILES | CC(=O)NC1=NC(=O)C(=CC2=COC3=C(C2=O)C=C(C=C3)Br)N1C |
Product Overview
Acetamide, N-[5-[(6-bromo-4-oxo-4H-1-benzopyran-3-yl)methyle (CAS 247045-86-9), with molecular formula C16H12BrN3O4 and molecular weight 389.00 g/mol. IUPAC: N-[5-[(6-bromo-4-oxochromen-3-yl)methylidene]-1-methyl-4-oxoimidazol-2-yl]acetamide.
Chemical Property Profile of Acetamide, N-[5-[(6-bromo-4-oxo-4H-1-benzopyran-3-yl)methyle
Property Insights of Acetamide, N-[5-[(6-bromo-4-oxo-4H-1-benzopyran-3-yl)methyle
The XLogP value of 1.8605 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetamide, N-[5-[(6-bromo-4-oxo-4H-1-benzopyran-3-yl)methyle. The TPSA of 91.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetamide, N-[5-[(6-bromo-4-oxo-4H-1-benzopyran-3-yl)methyle. Following Lipinski's Rule of Five, Acetamide, N-[5-[(6-bromo-4-oxo-4H-1-benzopyran-3-yl)methyle has 1 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 Acetamide, N-[5-[(6-bromo-4-oxo-4H-1-benzopyran-3-yl)methyle?
The CAS number of Acetamide, N-[5-[(6-bromo-4-oxo-4H-1-benzopyran-3-yl)methyle is 247045-86-9.
What is the molecular formula of Acetamide, N-[5-[(6-bromo-4-oxo-4H-1-benzopyran-3-yl)methyle?
The molecular formula of Acetamide, N-[5-[(6-bromo-4-oxo-4H-1-benzopyran-3-yl)methyle is C16H12BrN3O4.
What is the molecular weight of Acetamide, N-[5-[(6-bromo-4-oxo-4H-1-benzopyran-3-yl)methyle?
The molecular weight of Acetamide, N-[5-[(6-bromo-4-oxo-4H-1-benzopyran-3-yl)methyle is 389.00 g/mol.
Where can I buy Acetamide, N-[5-[(6-bromo-4-oxo-4H-1-benzopyran-3-yl)methyle?
You can request a quote for Acetamide, N-[5-[(6-bromo-4-oxo-4H-1-benzopyran-3-yl)methyle directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetamide, N-[5-[(6-bromo-4-oxo-4H-1-benzopyran-3-yl)methyle?
Yes, KEHONG BIO provides custom synthesis services for Acetamide, N-[5-[(6-bromo-4-oxo-4H-1-benzopyran-3-yl)methyle and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.