3-bromo-5-butanoyl-6-methyl-1H-pyridin-2-one
TL;DR: 3-bromo-5-butanoyl-6-methyl-1H-pyridin-2-one (CAS 169228-01-7) is a chemical compound with molecular formula C10H12BrNO2 and molecular weight 257.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-5-butanoyl-6-methyl-1H-pyridin-2-one
Also Known As: 3-bromo-5-butanoyl-6-methylpyridin-2(1H)-one, 3-bromo-5-butanoyl-6-methyl-1H-pyridin-2-one, 3-bromo-5-butanoyl-6-methyl-1,2-dihydropyridin-2-one
| Molecular Formula | C10H12BrNO2 |
|---|---|
| Molecular Weight | 257.01 g/mol |
| LogP | 2.42862 |
| Topological Polar Surface Area | 49.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.00513 |
| Heavy Atoms | 14 |
| Complexity | 409.0733 |
Chemical Identifiers
| CAS Number | 169228-01-7 |
|---|---|
| SMILES | CCCC(=O)C1=C(NC(=O)C(=C1)Br)C |
Product Overview
3-bromo-5-butanoyl-6-methyl-1H-pyridin-2-one (CAS 169228-01-7), with molecular formula C10H12BrNO2 and molecular weight 257.01 g/mol. IUPAC: 3-bromo-5-butanoyl-6-methyl-1H-pyridin-2-one.
Chemical Property Profile of 3-bromo-5-butanoyl-6-methyl-1H-pyridin-2-one
Property Insights of 3-bromo-5-butanoyl-6-methyl-1H-pyridin-2-one
The XLogP value of 2.42862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-bromo-5-butanoyl-6-methyl-1H-pyridin-2-one. With a topological polar surface area (TPSA) of 49.93 Ų, 3-bromo-5-butanoyl-6-methyl-1H-pyridin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-bromo-5-butanoyl-6-methyl-1H-pyridin-2-one has 1 hydrogen bond donor(s) and 2 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-bromo-5-butanoyl-6-methyl-1H-pyridin-2-one?
The CAS number of 3-bromo-5-butanoyl-6-methyl-1H-pyridin-2-one is 169228-01-7.
What is the molecular formula of 3-bromo-5-butanoyl-6-methyl-1H-pyridin-2-one?
The molecular formula of 3-bromo-5-butanoyl-6-methyl-1H-pyridin-2-one is C10H12BrNO2.
What is the molecular weight of 3-bromo-5-butanoyl-6-methyl-1H-pyridin-2-one?
The molecular weight of 3-bromo-5-butanoyl-6-methyl-1H-pyridin-2-one is 257.01 g/mol.
Where can I buy 3-bromo-5-butanoyl-6-methyl-1H-pyridin-2-one?
You can request a quote for 3-bromo-5-butanoyl-6-methyl-1H-pyridin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-bromo-5-butanoyl-6-methyl-1H-pyridin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-5-butanoyl-6-methyl-1H-pyridin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.