Methyl 5-bromonicotinoylacetate
TL;DR: Methyl 5-bromonicotinoylacetate (CAS 205985-97-3) is a chemical compound with molecular formula C9H8BrNO3 and molecular weight 256.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(5-bromo-3-pyridinyl)-3-oxopropanoate
Also Known As: Methyl 5-bromonicotinoylacetate, methyl 3-(5-bromopyridin-3-yl)-3-oxopropanoate, CLAVULANICACID, 3-Pyridinepropanoic acid, 5-bromo-beta-oxo-, methyl ester, methyl3-(5-bromopyridin-3-yl)-3-oxopropanoate
| Molecular Formula | C9H8BrNO3 |
|---|---|
| Molecular Weight | 256.97 g/mol |
| LogP | 1.5899 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.96875 |
| Heavy Atoms | 14 |
| Complexity | 364.82962 |
Chemical Identifiers
| CAS Number | 205985-97-3 |
|---|---|
| SMILES | COC(=O)CC(=O)C1=CC(=CN=C1)Br |
Product Overview
Methyl 5-bromonicotinoylacetate (CAS 205985-97-3), with molecular formula C9H8BrNO3 and molecular weight 256.97 g/mol. IUPAC: methyl 3-(5-bromo-3-pyridinyl)-3-oxopropanoate.
Chemical Property Profile of Methyl 5-bromonicotinoylacetate
Property Insights of Methyl 5-bromonicotinoylacetate
The XLogP value of 1.5899 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-bromonicotinoylacetate. With a topological polar surface area (TPSA) of 56.26 Ų, Methyl 5-bromonicotinoylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-bromonicotinoylacetate has 0 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 Methyl 5-bromonicotinoylacetate?
The CAS number of Methyl 5-bromonicotinoylacetate is 205985-97-3.
What is the molecular formula of Methyl 5-bromonicotinoylacetate?
The molecular formula of Methyl 5-bromonicotinoylacetate is C9H8BrNO3.
What is the molecular weight of Methyl 5-bromonicotinoylacetate?
The molecular weight of Methyl 5-bromonicotinoylacetate is 256.97 g/mol.
Where can I buy Methyl 5-bromonicotinoylacetate?
You can request a quote for Methyl 5-bromonicotinoylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-bromonicotinoylacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-bromonicotinoylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.