N-(4-nitrophenyl)butanamide
TL;DR: N-(4-nitrophenyl)butanamide (CAS 54191-12-7) is a chemical compound with molecular formula C10H12N2O3 and molecular weight 208.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-nitrophenyl)butanamide
Also Known As: N-(4-nitrophenyl)butanamide, N-(4-Nitrophenyl)butyramide, p-nitrobutyranilide, N- (4-nitrophenyl) butylamide, J2.203.973C
| Molecular Formula | C10H12N2O3 |
|---|---|
| Molecular Weight | 208.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.0848 |
| Heavy Atoms | 15 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 54191-12-7 |
|---|---|
| SMILES | CCCC(=O)NC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | YATAVUWVWRFIRI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(4-nitrophenyl)butanamide (CAS 54191-12-7), with molecular formula C10H12N2O3 and molecular weight 208.08 g/mol. IUPAC: N-(4-nitrophenyl)butanamide.
Chemical Property Profile of N-(4-nitrophenyl)butanamide
Property Insights of N-(4-nitrophenyl)butanamide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-nitrophenyl)butanamide. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-nitrophenyl)butanamide. Following Lipinski's Rule of Five, N-(4-nitrophenyl)butanamide has 1 hydrogen bond donor(s) and 3 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-nitrophenyl)butanamide?
The CAS number of N-(4-nitrophenyl)butanamide is 54191-12-7.
What is the molecular formula of N-(4-nitrophenyl)butanamide?
The molecular formula of N-(4-nitrophenyl)butanamide is C10H12N2O3.
What is the molecular weight of N-(4-nitrophenyl)butanamide?
The molecular weight of N-(4-nitrophenyl)butanamide is 208.08 g/mol.
Where can I buy N-(4-nitrophenyl)butanamide?
You can request a quote for N-(4-nitrophenyl)butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-nitrophenyl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-nitrophenyl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.