5-bromo-N-(3-methyl-4-propan-2-ylphenyl)-6-oxopyran-3-carboxamide
TL;DR: 5-bromo-N-(3-methyl-4-propan-2-ylphenyl)-6-oxopyran-3-carboxamide (CAS 799828-73-2) is a chemical compound with molecular formula C16H16BrNO3 and molecular weight 349.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-N-(3-methyl-4-propan-2-ylphenyl)-6-oxopyran-3-carboxamide
Also Known As: 5-bromo-N-(3-methyl-4-propan-2-ylphenyl)-6-oxopyran-3-carboxamide, 3-Bromo-N-(4-isopropyl-3-methylphenyl)-2-oxo-2H-pyran-5-carboxamide, 3-bromo-N-[3-methyl-4-(propan-2-yl)phenyl]-2-oxo-2H-pyran-5-carboxamide, 5-Bromo-6-oxo-6H-pyran-3-carboxylic acid (4-isopropyl-3-methyl-phenyl)-amide, 5-bromo-N-(3-methyl-4-propan-2-ylphenyl)-6-oxo-3-pyrancarboxamide
| Molecular Formula | C16H16BrNO3 |
|---|---|
| Molecular Weight | 349.03 g/mol |
| LogP | 4.08642 |
| Topological Polar Surface Area | 59.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.03137 |
| Heavy Atoms | 21 |
| Complexity | 734.54224 |
Chemical Identifiers
| CAS Number | 799828-73-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)NC(=O)C2=COC(=O)C(=C2)Br)C(C)C |
Product Overview
5-bromo-N-(3-methyl-4-propan-2-ylphenyl)-6-oxopyran-3-carboxamide (CAS 799828-73-2), with molecular formula C16H16BrNO3 and molecular weight 349.03 g/mol. IUPAC: 5-bromo-N-(3-methyl-4-propan-2-ylphenyl)-6-oxopyran-3-carboxamide.
Chemical Property Profile of 5-bromo-N-(3-methyl-4-propan-2-ylphenyl)-6-oxopyran-3-carboxamide
Property Insights of 5-bromo-N-(3-methyl-4-propan-2-ylphenyl)-6-oxopyran-3-carboxamide
The XLogP value of 4.08642 indicates that 5-bromo-N-(3-methyl-4-propan-2-ylphenyl)-6-oxopyran-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.31 Ų, 5-bromo-N-(3-methyl-4-propan-2-ylphenyl)-6-oxopyran-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-bromo-N-(3-methyl-4-propan-2-ylphenyl)-6-oxopyran-3-carboxamide 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 5-bromo-N-(3-methyl-4-propan-2-ylphenyl)-6-oxopyran-3-carboxamide?
The CAS number of 5-bromo-N-(3-methyl-4-propan-2-ylphenyl)-6-oxopyran-3-carboxamide is 799828-73-2.
What is the molecular formula of 5-bromo-N-(3-methyl-4-propan-2-ylphenyl)-6-oxopyran-3-carboxamide?
The molecular formula of 5-bromo-N-(3-methyl-4-propan-2-ylphenyl)-6-oxopyran-3-carboxamide is C16H16BrNO3.
What is the molecular weight of 5-bromo-N-(3-methyl-4-propan-2-ylphenyl)-6-oxopyran-3-carboxamide?
The molecular weight of 5-bromo-N-(3-methyl-4-propan-2-ylphenyl)-6-oxopyran-3-carboxamide is 349.03 g/mol.
Where can I buy 5-bromo-N-(3-methyl-4-propan-2-ylphenyl)-6-oxopyran-3-carboxamide?
You can request a quote for 5-bromo-N-(3-methyl-4-propan-2-ylphenyl)-6-oxopyran-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-bromo-N-(3-methyl-4-propan-2-ylphenyl)-6-oxopyran-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-bromo-N-(3-methyl-4-propan-2-ylphenyl)-6-oxopyran-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.