SC 28538
TL;DR: SC 28538 (CAS 73148-17-1) is a chemical compound with molecular formula C13H12N3NaO5S and molecular weight 345.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 4-[2-(1-methyl-5-nitroimidazol-2-yl)sulfanylethoxy]benzoate
Also Known As: acetonitrile,copper(1+),hexafluorophosphate, 4-(2-(1-Methyl-5-nitro-2-imidazolylthio)ethoxy) benzoate, Benzoic acid, 4-(2-((1-methyl-5-nitro-1H-imidazol-2-yl)thio)ethoxy)-, sodium salt, sodium;4-[2-(1-methyl-5-nitroimidazol-2-yl)sulfanylethoxy]benzoate, sodium 4-{2-[(1-methyl-5-nitro-1h-imidazol-2-yl)sulfanyl]ethoxy}benzoate
| Molecular Formula | C13H12N3NaO5S |
|---|---|
| Molecular Weight | 345.04 g/mol |
| LogP | -2.1331 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.03955 |
| Heavy Atoms | 23 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 73148-17-1 |
|---|---|
| SMILES | CN1C(=CN=C1SCCOC2=CC=C(C=C2)C(=O)[O-])[N+](=O)[O-].[Na+] |
| InChIKey | ZRQHQPBCTPQLFJ-UHFFFAOYSA-M |
Product Overview
SC 28538 (CAS 73148-17-1), with molecular formula C13H12N3NaO5S and molecular weight 345.04 g/mol. IUPAC: sodium 4-[2-(1-methyl-5-nitroimidazol-2-yl)sulfanylethoxy]benzoate.
Chemical Property Profile of SC 28538
Property Insights of SC 28538
The XLogP value of -2.1331 indicates that SC 28538 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for SC 28538. Following Lipinski's Rule of Five, SC 28538 has 0 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 SC 28538?
The CAS number of SC 28538 is 73148-17-1.
What is the molecular formula of SC 28538?
The molecular formula of SC 28538 is C13H12N3NaO5S.
What is the molecular weight of SC 28538?
The molecular weight of SC 28538 is 345.04 g/mol.
Where can I buy SC 28538?
You can request a quote for SC 28538 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SC 28538?
Yes, KEHONG BIO provides custom synthesis services for SC 28538 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.