N-(4-硝基苯基)-3-氧代丁酰胺
TL;DR: N-(4-硝基苯基)-3-氧代丁酰胺 (CAS 4835-39-6) is a chemical compound with molecular formula C10H10N2O4 and molecular weight 222.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-硝基苯基)-3-氧代丁酰胺
N-(4-nitrophenyl)-3-oxobutanamide
Also Known As: N-(4-Nitrophenyl)-3-oxobutanamide, 4'-Nitroacetoacetanilide, p-nitro acetoacetanilide, Acetoacet-p-nitroanilide, N-(4-NITROPHENYL)-3-OXOBUTYRAMIDE
| Molecular Formula | C10H10N2O4 |
|---|---|
| Molecular Weight | 222.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 92.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.06406 |
| Heavy Atoms | 16 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 4835-39-6 |
|---|---|
| SMILES | CC(=O)CC(=O)NC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | KCXJQNDNGLRYBN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(4-硝基苯基)-3-氧代丁酰胺 (CAS 4835-39-6), with molecular formula C10H10N2O4 and molecular weight 222.06 g/mol. IUPAC: N-(4-nitrophenyl)-3-oxobutanamide.
Chemical Property Profile of N-(4-硝基苯基)-3-氧代丁酰胺
Property Insights of N-(4-硝基苯基)-3-氧代丁酰胺
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-硝基苯基)-3-氧代丁酰胺. The TPSA of 92.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-硝基苯基)-3-氧代丁酰胺. Following Lipinski's Rule of Five, N-(4-硝基苯基)-3-氧代丁酰胺 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 N-(4-硝基苯基)-3-氧代丁酰胺?
The CAS number of N-(4-硝基苯基)-3-氧代丁酰胺 is 4835-39-6.
What is the molecular formula of N-(4-硝基苯基)-3-氧代丁酰胺?
The molecular formula of N-(4-硝基苯基)-3-氧代丁酰胺 is C10H10N2O4.
What is the molecular weight of N-(4-硝基苯基)-3-氧代丁酰胺?
The molecular weight of N-(4-硝基苯基)-3-氧代丁酰胺 is 222.06 g/mol.
Where can I buy N-(4-硝基苯基)-3-氧代丁酰胺?
You can request a quote for N-(4-硝基苯基)-3-氧代丁酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-硝基苯基)-3-氧代丁酰胺?
Yes, KEHONG BIO provides custom synthesis services for N-(4-硝基苯基)-3-氧代丁酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.