2-Amino-3-((4-methoxy-3-nitrobenzyl)thio)propanoic acid
TL;DR: 2-Amino-3-((4-methoxy-3-nitrobenzyl)thio)propanoic acid (CAS 1396966-49-6) is a chemical compound with molecular formula C11H14N2O5S and molecular weight 286.06235 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-3-[(4-methoxy-3-nitrophenyl)methylsulfanyl]propanoic acid
Also Known As: 2-amino-3-((4-methoxy-3-nitrobenzyl)thio)propanoic acid, 2-amino-3-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]propanoic Acid, 2-amino-3-[(4-methoxy-3-nitrophenyl)methylsulfanyl]propanoic acid
Technical Specifications
| Molecular Formula | C11H14N2O5S |
| Molecular Weight | 286.06235 g/mol |
| XLogP | -1.4 |
| Topological Polar Surface Area (TPSA) | 144.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 286.06235 Da |
| Heavy Atoms | 19 |
| Complexity | 323.0 |
| SMILES | COC1=C(C=C(C=C1)CSCC(C(=O)O)N)[N+](=O)[O-] |
| InChIKey | VNVYZMGTQQSWOH-UHFFFAOYSA-N |
Chemical Property Profile of 2-Amino-3-((4-methoxy-3-nitrobenzyl)thio)propanoic acid
Property Insights of 2-Amino-3-((4-methoxy-3-nitrobenzyl)thio)propanoic acid
The XLogP value of -1.4 indicates that 2-Amino-3-((4-methoxy-3-nitrobenzyl)thio)propanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 144.0 Ų indicates high polarity, suggesting 2-Amino-3-((4-methoxy-3-nitrobenzyl)thio)propanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Amino-3-((4-methoxy-3-nitrobenzyl)thio)propanoic acid has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Amino-3-((4-methoxy-3-nitrobenzyl)thio)propanoic acid?
The CAS number of 2-Amino-3-((4-methoxy-3-nitrobenzyl)thio)propanoic acid is 1396966-49-6.
What is the molecular formula of 2-Amino-3-((4-methoxy-3-nitrobenzyl)thio)propanoic acid?
The molecular formula of 2-Amino-3-((4-methoxy-3-nitrobenzyl)thio)propanoic acid is C11H14N2O5S.
What is the molecular weight of 2-Amino-3-((4-methoxy-3-nitrobenzyl)thio)propanoic acid?
The molecular weight of 2-Amino-3-((4-methoxy-3-nitrobenzyl)thio)propanoic acid is 286.06235 g/mol.
Where can I buy 2-Amino-3-((4-methoxy-3-nitrobenzyl)thio)propanoic acid?
You can request a quote for 2-Amino-3-((4-methoxy-3-nitrobenzyl)thio)propanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Amino-3-((4-methoxy-3-nitrobenzyl)thio)propanoic acid?
Yes, CoreyChem provides custom synthesis services for 2-Amino-3-((4-methoxy-3-nitrobenzyl)thio)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.