![[(4-Formyl-2-nitrophenyl)sulfanyl]acetic acid structure](/static/products/3848/384856-42-2.webp)
[(4-Formyl-2-nitrophenyl)sulfanyl]acetic acid
TL;DR: [(4-Formyl-2-nitrophenyl)sulfanyl]acetic acid (CAS 384856-42-2) is a chemical compound with molecular formula C9H7NO5S and molecular weight 241.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-formyl-2-nitrophenyl)sulfanylacetic acid
Also Known As: [(4-Formyl-2-nitrophenyl)sulfanyl]acetic acid|SP135|2-(4-formyl-2-nitrophenyl)sulfanylacetic acid|2-[(4-formyl-2-nitrophenyl)sulfanyl]acetic acid|Acetic acid, 2-(4-formyl-2-nitrophenylthio)-|2-(4-formyl-2-nitrophenylthio)acetic acid|2-((4-Formyl-2-nitrophenyl)thio)acetic acid|2-(4-formyl-2-nitro-phenyl)sulfanylacetic acid|[(4-Formyl-2-nitrophenyl)sulfanyl]acetic acid #
| Molecular Formula | C9H7NO5S |
|---|---|
| Molecular Weight | 241.00 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 241.00449 |
| Heavy Atoms | 16 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 384856-42-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1C=O)[N+](=O)[O-])SCC(=O)O |
| InChIKey | LCYXQRNOZVMFFY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
[(4-Formyl-2-nitrophenyl)sulfanyl]acetic acid (CAS 384856-42-2), with molecular formula C9H7NO5S and molecular weight 241.00 g/mol. IUPAC: 2-(4-formyl-2-nitrophenyl)sulfanylacetic acid.
Chemical Property Profile of [(4-Formyl-2-nitrophenyl)sulfanyl]acetic acid
Property Insights of [(4-Formyl-2-nitrophenyl)sulfanyl]acetic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(4-Formyl-2-nitrophenyl)sulfanyl]acetic acid. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [(4-Formyl-2-nitrophenyl)sulfanyl]acetic acid. Following Lipinski's Rule of Five, [(4-Formyl-2-nitrophenyl)sulfanyl]acetic acid has 1 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 [(4-Formyl-2-nitrophenyl)sulfanyl]acetic acid?
The CAS number of [(4-Formyl-2-nitrophenyl)sulfanyl]acetic acid is 384856-42-2.
What is the molecular formula of [(4-Formyl-2-nitrophenyl)sulfanyl]acetic acid?
The molecular formula of [(4-Formyl-2-nitrophenyl)sulfanyl]acetic acid is C9H7NO5S.
What is the molecular weight of [(4-Formyl-2-nitrophenyl)sulfanyl]acetic acid?
The molecular weight of [(4-Formyl-2-nitrophenyl)sulfanyl]acetic acid is 241.00 g/mol.
Where can I buy [(4-Formyl-2-nitrophenyl)sulfanyl]acetic acid?
You can request a quote for [(4-Formyl-2-nitrophenyl)sulfanyl]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(4-Formyl-2-nitrophenyl)sulfanyl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [(4-Formyl-2-nitrophenyl)sulfanyl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.