(2S)-2-(3-bromo-5-methoxycarbonyl-2-oxo-1-pyridinyl)-3-phenylpropanoic acid
TL;DR: (2S)-2-(3-bromo-5-methoxycarbonyl-2-oxo-1-pyridinyl)-3-phenylpropanoic acid (CAS 895908-51-7) is a chemical compound with molecular formula C16H14BrNO5 and molecular weight 379.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-(3-bromo-5-methoxycarbonyl-2-oxo-1-pyridinyl)-3-phenylpropanoic acid
Also Known As: 2-(3-bromo-5-methoxycarbonyl-2-oxo-pyridin-1-yl)-3-phenyl-propanoic Acid, (2S)-2-(3-bromo-5-methoxycarbonyl-2-oxopyridin-1-yl)-3-phenylpropanoic acid
| Molecular Formula | C16H14BrNO5 |
|---|---|
| Molecular Weight | 379.01 g/mol |
| LogP | 2.2658 |
| Topological Polar Surface Area | 85.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.00555 |
| Heavy Atoms | 23 |
| Complexity | 784.80273 |
Chemical Identifiers
| CAS Number | 895908-51-7 |
|---|---|
| SMILES | COC(=O)C1=CN(C(=O)C(=C1)Br)[C@@H](CC2=CC=CC=C2)C(=O)O |
Product Overview
(2S)-2-(3-bromo-5-methoxycarbonyl-2-oxo-1-pyridinyl)-3-phenylpropanoic acid (CAS 895908-51-7), with molecular formula C16H14BrNO5 and molecular weight 379.01 g/mol. IUPAC: (2S)-2-(3-bromo-5-methoxycarbonyl-2-oxo-1-pyridinyl)-3-phenylpropanoic acid.
Chemical Property Profile of (2S)-2-(3-bromo-5-methoxycarbonyl-2-oxo-1-pyridinyl)-3-phenylpropanoic acid
Property Insights of (2S)-2-(3-bromo-5-methoxycarbonyl-2-oxo-1-pyridinyl)-3-phenylpropanoic acid
The XLogP value of 2.2658 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-(3-bromo-5-methoxycarbonyl-2-oxo-1-pyridinyl)-3-phenylpropanoic acid. The TPSA of 85.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-2-(3-bromo-5-methoxycarbonyl-2-oxo-1-pyridinyl)-3-phenylpropanoic acid. Following Lipinski's Rule of Five, (2S)-2-(3-bromo-5-methoxycarbonyl-2-oxo-1-pyridinyl)-3-phenylpropanoic acid 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 (2S)-2-(3-bromo-5-methoxycarbonyl-2-oxo-1-pyridinyl)-3-phenylpropanoic acid?
The CAS number of (2S)-2-(3-bromo-5-methoxycarbonyl-2-oxo-1-pyridinyl)-3-phenylpropanoic acid is 895908-51-7.
What is the molecular formula of (2S)-2-(3-bromo-5-methoxycarbonyl-2-oxo-1-pyridinyl)-3-phenylpropanoic acid?
The molecular formula of (2S)-2-(3-bromo-5-methoxycarbonyl-2-oxo-1-pyridinyl)-3-phenylpropanoic acid is C16H14BrNO5.
What is the molecular weight of (2S)-2-(3-bromo-5-methoxycarbonyl-2-oxo-1-pyridinyl)-3-phenylpropanoic acid?
The molecular weight of (2S)-2-(3-bromo-5-methoxycarbonyl-2-oxo-1-pyridinyl)-3-phenylpropanoic acid is 379.01 g/mol.
Where can I buy (2S)-2-(3-bromo-5-methoxycarbonyl-2-oxo-1-pyridinyl)-3-phenylpropanoic acid?
You can request a quote for (2S)-2-(3-bromo-5-methoxycarbonyl-2-oxo-1-pyridinyl)-3-phenylpropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-2-(3-bromo-5-methoxycarbonyl-2-oxo-1-pyridinyl)-3-phenylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2-(3-bromo-5-methoxycarbonyl-2-oxo-1-pyridinyl)-3-phenylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.