4'-Chloro-3'-nitropropionanilide
TL;DR: 4'-Chloro-3'-nitropropionanilide (CAS 5540-61-4) is a chemical compound with molecular formula C9H9ClN2O3 and molecular weight 228.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chloro-3-nitrophenyl)propanamide
Also Known As: 4'-CHLORO-3'-NITROPROPIONANILIDE, N-(4-Chloro-3-nitrophenyl)propionamide, N-(4-chloro-3-nitrophenyl)propanamide, N-(4-chloro-3-nitro-phenyl)propanamide, 666-147-3
| Molecular Formula | C9H9ClN2O3 |
|---|---|
| Molecular Weight | 228.03 g/mol |
| LogP | 2.5967 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.03017 |
| Heavy Atoms | 15 |
| Complexity | 406.34396 |
Chemical Identifiers
| CAS Number | 5540-61-4 |
|---|---|
| SMILES | CCC(=O)NC1=CC(=C(C=C1)Cl)[N+](=O)[O-] |
Product Overview
4'-Chloro-3'-nitropropionanilide (CAS 5540-61-4), with molecular formula C9H9ClN2O3 and molecular weight 228.03 g/mol. IUPAC: N-(4-chloro-3-nitrophenyl)propanamide.
Chemical Property Profile of 4'-Chloro-3'-nitropropionanilide
Property Insights of 4'-Chloro-3'-nitropropionanilide
The XLogP value of 2.5967 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Chloro-3'-nitropropionanilide. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-Chloro-3'-nitropropionanilide. Following Lipinski's Rule of Five, 4'-Chloro-3'-nitropropionanilide 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 4'-Chloro-3'-nitropropionanilide?
The CAS number of 4'-Chloro-3'-nitropropionanilide is 5540-61-4.
What is the molecular formula of 4'-Chloro-3'-nitropropionanilide?
The molecular formula of 4'-Chloro-3'-nitropropionanilide is C9H9ClN2O3.
What is the molecular weight of 4'-Chloro-3'-nitropropionanilide?
The molecular weight of 4'-Chloro-3'-nitropropionanilide is 228.03 g/mol.
Where can I buy 4'-Chloro-3'-nitropropionanilide?
You can request a quote for 4'-Chloro-3'-nitropropionanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Chloro-3'-nitropropionanilide?
Yes, KEHONG BIO provides custom synthesis services for 4'-Chloro-3'-nitropropionanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.