4-(4-bromophenyl)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic Acid
TL;DR: 4-(4-bromophenyl)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic Acid (CAS 1042701-72-3) is a chemical compound with molecular formula C16H15BrN2O3 and molecular weight 362.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromophenyl)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid
Also Known As: 4-(4-bromophenyl)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic Acid, 4-(4-bromophenyl)-4-oxo-2-[(3-pyridinylmethyl)amino]butanoic acid, 4-(4-bromophenyl)-4-oxo-2-{[(pyridin-3-yl)methyl]amino}butanoic acid, 4-(4-bromophenyl)-4-oxo-2-(3-pyridylmethylamino)butanoic acid, 4-(4-Bromophenyl)-4-oxo-2-((3-pyridinylmethyl)amino)butanoic acid
| Molecular Formula | C16H15BrN2O3 |
|---|---|
| Molecular Weight | 362.03 g/mol |
| LogP | 2.6599 |
| Topological Polar Surface Area | 79.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 362.0266 |
| Heavy Atoms | 22 |
| Complexity | 644.2003 |
Chemical Identifiers
| CAS Number | 1042701-72-3 |
|---|---|
| SMILES | C1=CC(=CN=C1)CNC(CC(=O)C2=CC=C(C=C2)Br)C(=O)O |
Product Overview
4-(4-bromophenyl)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic Acid (CAS 1042701-72-3), with molecular formula C16H15BrN2O3 and molecular weight 362.03 g/mol. IUPAC: 4-(4-bromophenyl)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid.
Chemical Property Profile of 4-(4-bromophenyl)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic Acid
Property Insights of 4-(4-bromophenyl)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic Acid
The XLogP value of 2.6599 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-bromophenyl)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic Acid. The TPSA of 79.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-bromophenyl)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic Acid. Following Lipinski's Rule of Five, 4-(4-bromophenyl)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic Acid has 2 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 4-(4-bromophenyl)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic Acid?
The CAS number of 4-(4-bromophenyl)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic Acid is 1042701-72-3.
What is the molecular formula of 4-(4-bromophenyl)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic Acid?
The molecular formula of 4-(4-bromophenyl)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic Acid is C16H15BrN2O3.
What is the molecular weight of 4-(4-bromophenyl)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic Acid?
The molecular weight of 4-(4-bromophenyl)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic Acid is 362.03 g/mol.
Where can I buy 4-(4-bromophenyl)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic Acid?
You can request a quote for 4-(4-bromophenyl)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-bromophenyl)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-bromophenyl)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.