N2-((2-Nitrophenyl)thio)-L-asparagine
TL;DR: N2-((2-Nitrophenyl)thio)-L-asparagine (CAS 7685-72-5) is a chemical compound with molecular formula C10H11N3O5S and molecular weight 285.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-4-amino-2-[(2-nitrophenyl)sulfanylamino]-4-oxobutanoic acid
Also Known As: NPS-Asn-OH, N2-((2-Nitrophenyl)thio)-L-asparagine, N2-[(2-nitrophenyl)thio]-L-asparagine, ((2-Nitrophenyl)thio)-L-asparagine, n2-[(2-nitrophenyl)sulfanyl]-l-asparagine
| Molecular Formula | C10H11N3O5S |
|---|---|
| Molecular Weight | 285.04 g/mol |
| LogP | -2.2 |
| Topological Polar Surface Area | 164.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 285.04193 |
| Heavy Atoms | 19 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 7685-72-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)[N+](=O)[O-])SN[C@@H](CC(=O)N)C(=O)O |
| InChIKey | SCYCMFQAMTUOEU-LURJTMIESA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N2-((2-Nitrophenyl)thio)-L-asparagine (CAS 7685-72-5), with molecular formula C10H11N3O5S and molecular weight 285.04 g/mol. IUPAC: (2S)-4-amino-2-[(2-nitrophenyl)sulfanylamino]-4-oxobutanoic acid.
Chemical Property Profile of N2-((2-Nitrophenyl)thio)-L-asparagine
Property Insights of N2-((2-Nitrophenyl)thio)-L-asparagine
The XLogP value of -2.2 indicates that N2-((2-Nitrophenyl)thio)-L-asparagine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 164.0 Ų indicates high polarity, suggesting N2-((2-Nitrophenyl)thio)-L-asparagine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N2-((2-Nitrophenyl)thio)-L-asparagine has 3 hydrogen bond donor(s) and 7 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 N2-((2-Nitrophenyl)thio)-L-asparagine?
The CAS number of N2-((2-Nitrophenyl)thio)-L-asparagine is 7685-72-5.
What is the molecular formula of N2-((2-Nitrophenyl)thio)-L-asparagine?
The molecular formula of N2-((2-Nitrophenyl)thio)-L-asparagine is C10H11N3O5S.
What is the molecular weight of N2-((2-Nitrophenyl)thio)-L-asparagine?
The molecular weight of N2-((2-Nitrophenyl)thio)-L-asparagine is 285.04 g/mol.
Where can I buy N2-((2-Nitrophenyl)thio)-L-asparagine?
You can request a quote for N2-((2-Nitrophenyl)thio)-L-asparagine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N2-((2-Nitrophenyl)thio)-L-asparagine?
Yes, KEHONG BIO provides custom synthesis services for N2-((2-Nitrophenyl)thio)-L-asparagine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.