4-(5-Chloro-2-methoxyanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid
TL;DR: 4-(5-Chloro-2-methoxyanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid (CAS 1042725-14-3) is a chemical compound with molecular formula C17H18ClN3O4 and molecular weight 363.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-chloro-2-methoxyanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid
Also Known As: 4-(5-chloro-2-methoxyanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid, F1278-0777, 4-((5-chloro-2-methoxyphenyl)amino)-4-oxo-2-((pyridin-3-ylmethyl)amino)butanoic acid, 3-[(5-chloro-2-methoxy-phenyl)carbamoyl]-2-(pyridin-3-ylmethylamino)propanoic Acid, 3-[N-(5-chloro-2-methoxyphenyl)carbamoyl]-2-[(3-pyridylmethyl)amino]propanoic acid
| Molecular Formula | C17H18ClN3O4 |
|---|---|
| Molecular Weight | 363.10 g/mol |
| LogP | 2.3152 |
| Topological Polar Surface Area | 100.55 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 363.09857 |
| Heavy Atoms | 25 |
| Complexity | 739.92773 |
Chemical Identifiers
| CAS Number | 1042725-14-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Cl)NC(=O)CC(C(=O)O)NCC2=CN=CC=C2 |
Product Overview
4-(5-Chloro-2-methoxyanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid (CAS 1042725-14-3), with molecular formula C17H18ClN3O4 and molecular weight 363.10 g/mol. IUPAC: 4-(5-chloro-2-methoxyanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid.
Chemical Property Profile of 4-(5-Chloro-2-methoxyanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid
Property Insights of 4-(5-Chloro-2-methoxyanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid
The XLogP value of 2.3152 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(5-Chloro-2-methoxyanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid. The TPSA of 100.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-Chloro-2-methoxyanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid. Following Lipinski's Rule of Five, 4-(5-Chloro-2-methoxyanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid has 3 hydrogen bond donor(s) and 5 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-(5-Chloro-2-methoxyanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid?
The CAS number of 4-(5-Chloro-2-methoxyanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid is 1042725-14-3.
What is the molecular formula of 4-(5-Chloro-2-methoxyanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid?
The molecular formula of 4-(5-Chloro-2-methoxyanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid is C17H18ClN3O4.
What is the molecular weight of 4-(5-Chloro-2-methoxyanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid?
The molecular weight of 4-(5-Chloro-2-methoxyanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid is 363.10 g/mol.
Where can I buy 4-(5-Chloro-2-methoxyanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid?
You can request a quote for 4-(5-Chloro-2-methoxyanilino)-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-(5-Chloro-2-methoxyanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-Chloro-2-methoxyanilino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.