5-bromo-N-(2-methylpropyl)-6-oxopyran-3-carboxamide
TL;DR: 5-bromo-N-(2-methylpropyl)-6-oxopyran-3-carboxamide (CAS 862244-16-4) is a chemical compound with molecular formula C10H12BrNO3 and molecular weight 273.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-N-(2-methylpropyl)-6-oxopyran-3-carboxamide
Also Known As: 3-bromo-N-isobutyl-2-oxo-2H-pyran-5-carboxamide, 5-bromo-N-(2-methylpropyl)-6-oxopyran-3-carboxamide, 5-bromo-N-isobutyl-6-keto-pyran-3-carboxamide, AT-057/43468081, 5-Bromo-6-oxo-6H-pyran-3-carboxylic acid isobutyl-amide
| Molecular Formula | C10H12BrNO3 |
|---|---|
| Molecular Weight | 273.00 g/mol |
| LogP | 1.7881 |
| Topological Polar Surface Area | 59.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.00006 |
| Heavy Atoms | 15 |
| Complexity | 411.3737 |
Chemical Identifiers
| CAS Number | 862244-16-4 |
|---|---|
| SMILES | CC(C)CNC(=O)C1=COC(=O)C(=C1)Br |
Product Overview
5-bromo-N-(2-methylpropyl)-6-oxopyran-3-carboxamide (CAS 862244-16-4), with molecular formula C10H12BrNO3 and molecular weight 273.00 g/mol. IUPAC: 5-bromo-N-(2-methylpropyl)-6-oxopyran-3-carboxamide.
Chemical Property Profile of 5-bromo-N-(2-methylpropyl)-6-oxopyran-3-carboxamide
Property Insights of 5-bromo-N-(2-methylpropyl)-6-oxopyran-3-carboxamide
The XLogP value of 1.7881 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-bromo-N-(2-methylpropyl)-6-oxopyran-3-carboxamide. With a topological polar surface area (TPSA) of 59.31 Ų, 5-bromo-N-(2-methylpropyl)-6-oxopyran-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-bromo-N-(2-methylpropyl)-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-(2-methylpropyl)-6-oxopyran-3-carboxamide?
The CAS number of 5-bromo-N-(2-methylpropyl)-6-oxopyran-3-carboxamide is 862244-16-4.
What is the molecular formula of 5-bromo-N-(2-methylpropyl)-6-oxopyran-3-carboxamide?
The molecular formula of 5-bromo-N-(2-methylpropyl)-6-oxopyran-3-carboxamide is C10H12BrNO3.
What is the molecular weight of 5-bromo-N-(2-methylpropyl)-6-oxopyran-3-carboxamide?
The molecular weight of 5-bromo-N-(2-methylpropyl)-6-oxopyran-3-carboxamide is 273.00 g/mol.
Where can I buy 5-bromo-N-(2-methylpropyl)-6-oxopyran-3-carboxamide?
You can request a quote for 5-bromo-N-(2-methylpropyl)-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-(2-methylpropyl)-6-oxopyran-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-bromo-N-(2-methylpropyl)-6-oxopyran-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.