![2-Amino-3-[2-(2,4-dinitroanilino)ethylsulfanyl]propanoic acid structure](/static/products/5794/57944-37-3.webp)
2-Amino-3-[2-(2,4-dinitroanilino)ethylsulfanyl]propanoic acid
TL;DR: 2-Amino-3-[2-(2,4-dinitroanilino)ethylsulfanyl]propanoic acid (CAS 57944-37-3) is a chemical compound with molecular formula C11H14N4O6S and molecular weight 330.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3-[2-(2,4-dinitroanilino)ethylsulfanyl]propanoic acid
Also Known As: 4-Thiocarboxamid-2-benzoyloxymethylfuran, 2-amino-3-[2-(2,4-dinitroanilino)ethylsulfanyl]propanoic acid, (2R)-2-amino-3-[2-(2,4-dinitroanilino)ethylsulfanyl]propanoic acid
| Molecular Formula | C11H14N4O6S |
|---|---|
| Molecular Weight | 330.06 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 192.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 330.06342 |
| Heavy Atoms | 22 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 57944-37-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCCSCC(C(=O)O)N |
| InChIKey | JGLSGIMDHOAABX-UHFFFAOYSA-N |
Product Overview
2-Amino-3-[2-(2,4-dinitroanilino)ethylsulfanyl]propanoic acid (CAS 57944-37-3), with molecular formula C11H14N4O6S and molecular weight 330.06 g/mol. IUPAC: 2-amino-3-[2-(2,4-dinitroanilino)ethylsulfanyl]propanoic acid.
Chemical Property Profile of 2-Amino-3-[2-(2,4-dinitroanilino)ethylsulfanyl]propanoic acid
Property Insights of 2-Amino-3-[2-(2,4-dinitroanilino)ethylsulfanyl]propanoic acid
The XLogP value of -0.8 indicates that 2-Amino-3-[2-(2,4-dinitroanilino)ethylsulfanyl]propanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 192.0 Ų indicates high polarity, suggesting 2-Amino-3-[2-(2,4-dinitroanilino)ethylsulfanyl]propanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Amino-3-[2-(2,4-dinitroanilino)ethylsulfanyl]propanoic acid has 3 hydrogen bond donor(s) and 9 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 2-Amino-3-[2-(2,4-dinitroanilino)ethylsulfanyl]propanoic acid?
The CAS number of 2-Amino-3-[2-(2,4-dinitroanilino)ethylsulfanyl]propanoic acid is 57944-37-3.
What is the molecular formula of 2-Amino-3-[2-(2,4-dinitroanilino)ethylsulfanyl]propanoic acid?
The molecular formula of 2-Amino-3-[2-(2,4-dinitroanilino)ethylsulfanyl]propanoic acid is C11H14N4O6S.
What is the molecular weight of 2-Amino-3-[2-(2,4-dinitroanilino)ethylsulfanyl]propanoic acid?
The molecular weight of 2-Amino-3-[2-(2,4-dinitroanilino)ethylsulfanyl]propanoic acid is 330.06 g/mol.
Where can I buy 2-Amino-3-[2-(2,4-dinitroanilino)ethylsulfanyl]propanoic acid?
You can request a quote for 2-Amino-3-[2-(2,4-dinitroanilino)ethylsulfanyl]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-3-[2-(2,4-dinitroanilino)ethylsulfanyl]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-3-[2-(2,4-dinitroanilino)ethylsulfanyl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.