![3-acetyl-2-[(4-bromophenyl)amino]-6-methyl-4H-pyran-4-one structure](/static/products/879/879919-76-3.png)
3-acetyl-2-[(4-bromophenyl)amino]-6-methyl-4H-pyran-4-one
TL;DR: 3-acetyl-2-[(4-bromophenyl)amino]-6-methyl-4H-pyran-4-one (CAS 879919-76-3) is a chemical compound with molecular formula C14H12BrNO3 and molecular weight 321.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-2-(4-bromoanilino)-6-methylpyran-4-one
Also Known As: 3-acetyl-2-(4-bromoanilino)-6-methylpyran-4-one, 3-acetyl-2-[(4-bromophenyl)amino]-6-methyl-4H-pyran-4-one, 3-acetyl-2-[(4-bromophenyl)amino]-6-methyl-4-oxopyran
| Molecular Formula | C14H12BrNO3 |
|---|---|
| Molecular Weight | 321.00 g/mol |
| LogP | 3.65692 |
| Topological Polar Surface Area | 59.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.00006 |
| Heavy Atoms | 19 |
| Complexity | 674.0807 |
Chemical Identifiers
| CAS Number | 879919-76-3 |
|---|---|
| SMILES | CC1=CC(=O)C(=C(O1)NC2=CC=C(C=C2)Br)C(=O)C |
Product Overview
3-acetyl-2-[(4-bromophenyl)amino]-6-methyl-4H-pyran-4-one (CAS 879919-76-3), with molecular formula C14H12BrNO3 and molecular weight 321.00 g/mol. IUPAC: 3-acetyl-2-(4-bromoanilino)-6-methylpyran-4-one.
Chemical Property Profile of 3-acetyl-2-[(4-bromophenyl)amino]-6-methyl-4H-pyran-4-one
Property Insights of 3-acetyl-2-[(4-bromophenyl)amino]-6-methyl-4H-pyran-4-one
The XLogP value of 3.65692 indicates that 3-acetyl-2-[(4-bromophenyl)amino]-6-methyl-4H-pyran-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.31 Ų, 3-acetyl-2-[(4-bromophenyl)amino]-6-methyl-4H-pyran-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-acetyl-2-[(4-bromophenyl)amino]-6-methyl-4H-pyran-4-one has 1 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 3-acetyl-2-[(4-bromophenyl)amino]-6-methyl-4H-pyran-4-one?
The CAS number of 3-acetyl-2-[(4-bromophenyl)amino]-6-methyl-4H-pyran-4-one is 879919-76-3.
What is the molecular formula of 3-acetyl-2-[(4-bromophenyl)amino]-6-methyl-4H-pyran-4-one?
The molecular formula of 3-acetyl-2-[(4-bromophenyl)amino]-6-methyl-4H-pyran-4-one is C14H12BrNO3.
What is the molecular weight of 3-acetyl-2-[(4-bromophenyl)amino]-6-methyl-4H-pyran-4-one?
The molecular weight of 3-acetyl-2-[(4-bromophenyl)amino]-6-methyl-4H-pyran-4-one is 321.00 g/mol.
Where can I buy 3-acetyl-2-[(4-bromophenyl)amino]-6-methyl-4H-pyran-4-one?
You can request a quote for 3-acetyl-2-[(4-bromophenyl)amino]-6-methyl-4H-pyran-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-acetyl-2-[(4-bromophenyl)amino]-6-methyl-4H-pyran-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-acetyl-2-[(4-bromophenyl)amino]-6-methyl-4H-pyran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.