5'-Nitro-2'-propoxyacetanilide
TL;DR: 5'-Nitro-2'-propoxyacetanilide (CAS 553-20-8) is a chemical compound with molecular formula C11H14N2O4 and molecular weight 238.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-nitro-2-propoxyphenyl)acetamide
Also Known As: Falimint, N-(5-Nitro-2-propoxyphenyl)acetamide, pronilide, Acetylaminonitropropoxybenzene, 5'-Nitro-2'-propoxyacetanilide
| Molecular Formula | C11H14N2O4 |
|---|---|
| Molecular Weight | 238.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 238.09535 |
| Heavy Atoms | 17 |
| Complexity | 277.0 |
| Melting Point | 202 - 203 °C |
Chemical Identifiers
| CAS Number | 553-20-8 |
|---|---|
| SMILES | CCCOC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C |
| InChIKey | OPTZOXDYEFIPJZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5'-Nitro-2'-propoxyacetanilide (CAS 553-20-8), with molecular formula C11H14N2O4 and molecular weight 238.10 g/mol. IUPAC: N-(5-nitro-2-propoxyphenyl)acetamide.
Chemical Property Profile of 5'-Nitro-2'-propoxyacetanilide
Property Insights of 5'-Nitro-2'-propoxyacetanilide
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5'-Nitro-2'-propoxyacetanilide. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5'-Nitro-2'-propoxyacetanilide. Following Lipinski's Rule of Five, 5'-Nitro-2'-propoxyacetanilide has 1 hydrogen bond donor(s) and 4 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 5'-Nitro-2'-propoxyacetanilide?
The CAS number of 5'-Nitro-2'-propoxyacetanilide is 553-20-8.
What is the molecular formula of 5'-Nitro-2'-propoxyacetanilide?
The molecular formula of 5'-Nitro-2'-propoxyacetanilide is C11H14N2O4.
What is the molecular weight of 5'-Nitro-2'-propoxyacetanilide?
The molecular weight of 5'-Nitro-2'-propoxyacetanilide is 238.10 g/mol.
Where can I buy 5'-Nitro-2'-propoxyacetanilide?
You can request a quote for 5'-Nitro-2'-propoxyacetanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5'-Nitro-2'-propoxyacetanilide?
Yes, KEHONG BIO provides custom synthesis services for 5'-Nitro-2'-propoxyacetanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.