3-((2-Carboxyethyl)(2-methoxy-5-nitrophenyl)amino)propanoic acid
TL;DR: 3-((2-Carboxyethyl)(2-methoxy-5-nitrophenyl)amino)propanoic acid (CAS 301173-23-9) is a chemical compound with molecular formula C13H16N2O7 and molecular weight 312.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[N-(2-carboxyethyl)-2-methoxy-5-nitroanilino]propanoic acid
Also Known As: 3-[(2-carboxyethyl)(2-methoxy-5-nitrophenyl)amino]propanoic acid, BAS 01814923, 3-[N-(2-carboxyethyl)-2-methoxy-5-nitroanilino]propanoic acid, 3-((2-Carboxyethyl)(2-methoxy-5-nitrophenyl)amino)propanoic acid, 3-[(2-Carboxy-ethyl)-(2-methoxy-5-nitro-phenyl)-amino]-propionic acid
| Molecular Formula | C13H16N2O7 |
|---|---|
| Molecular Weight | 312.10 g/mol |
| LogP | 1.3592 |
| Topological Polar Surface Area | 130.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 312.09576 |
| Heavy Atoms | 22 |
| Complexity | 555.5071 |
Chemical Identifiers
| CAS Number | 301173-23-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)[N+](=O)[O-])N(CCC(=O)O)CCC(=O)O |
Product Overview
3-((2-Carboxyethyl)(2-methoxy-5-nitrophenyl)amino)propanoic acid (CAS 301173-23-9), with molecular formula C13H16N2O7 and molecular weight 312.10 g/mol. IUPAC: 3-[N-(2-carboxyethyl)-2-methoxy-5-nitroanilino]propanoic acid.
Chemical Property Profile of 3-((2-Carboxyethyl)(2-methoxy-5-nitrophenyl)amino)propanoic acid
Property Insights of 3-((2-Carboxyethyl)(2-methoxy-5-nitrophenyl)amino)propanoic acid
The XLogP value of 1.3592 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((2-Carboxyethyl)(2-methoxy-5-nitrophenyl)amino)propanoic acid. The TPSA of 130.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((2-Carboxyethyl)(2-methoxy-5-nitrophenyl)amino)propanoic acid. Following Lipinski's Rule of Five, 3-((2-Carboxyethyl)(2-methoxy-5-nitrophenyl)amino)propanoic acid has 2 hydrogen bond donor(s) and 6 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-((2-Carboxyethyl)(2-methoxy-5-nitrophenyl)amino)propanoic acid?
The CAS number of 3-((2-Carboxyethyl)(2-methoxy-5-nitrophenyl)amino)propanoic acid is 301173-23-9.
What is the molecular formula of 3-((2-Carboxyethyl)(2-methoxy-5-nitrophenyl)amino)propanoic acid?
The molecular formula of 3-((2-Carboxyethyl)(2-methoxy-5-nitrophenyl)amino)propanoic acid is C13H16N2O7.
What is the molecular weight of 3-((2-Carboxyethyl)(2-methoxy-5-nitrophenyl)amino)propanoic acid?
The molecular weight of 3-((2-Carboxyethyl)(2-methoxy-5-nitrophenyl)amino)propanoic acid is 312.10 g/mol.
Where can I buy 3-((2-Carboxyethyl)(2-methoxy-5-nitrophenyl)amino)propanoic acid?
You can request a quote for 3-((2-Carboxyethyl)(2-methoxy-5-nitrophenyl)amino)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((2-Carboxyethyl)(2-methoxy-5-nitrophenyl)amino)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-((2-Carboxyethyl)(2-methoxy-5-nitrophenyl)amino)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.