N1-(4-chloro-2-nitrophenyl)-3-bromobutanamide
TL;DR: N1-(4-chloro-2-nitrophenyl)-3-bromobutanamide (CAS 680579-53-7) is a chemical compound with molecular formula C10H10BrClN2O3 and molecular weight 319.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-(4-chloro-2-nitrophenyl)butanamide
Also Known As: N1-(4-chloro-2-nitrophenyl)-3-bromobutanamide, 3-bromo-N-(4-chloro-2-nitrophenyl)butanamide
| Molecular Formula | C10H10BrClN2O3 |
|---|---|
| Molecular Weight | 319.96 g/mol |
| LogP | 3.3602 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.95633 |
| Heavy Atoms | 17 |
| Complexity | 451.1772 |
Chemical Identifiers
| CAS Number | 680579-53-7 |
|---|---|
| SMILES | CC(CC(=O)NC1=C(C=C(C=C1)Cl)[N+](=O)[O-])Br |
Product Overview
N1-(4-chloro-2-nitrophenyl)-3-bromobutanamide (CAS 680579-53-7), with molecular formula C10H10BrClN2O3 and molecular weight 319.96 g/mol. IUPAC: 3-bromo-N-(4-chloro-2-nitrophenyl)butanamide.
Chemical Property Profile of N1-(4-chloro-2-nitrophenyl)-3-bromobutanamide
Property Insights of N1-(4-chloro-2-nitrophenyl)-3-bromobutanamide
The XLogP value of 3.3602 indicates that N1-(4-chloro-2-nitrophenyl)-3-bromobutanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for N1-(4-chloro-2-nitrophenyl)-3-bromobutanamide. Following Lipinski's Rule of Five, N1-(4-chloro-2-nitrophenyl)-3-bromobutanamide 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 N1-(4-chloro-2-nitrophenyl)-3-bromobutanamide?
The CAS number of N1-(4-chloro-2-nitrophenyl)-3-bromobutanamide is 680579-53-7.
What is the molecular formula of N1-(4-chloro-2-nitrophenyl)-3-bromobutanamide?
The molecular formula of N1-(4-chloro-2-nitrophenyl)-3-bromobutanamide is C10H10BrClN2O3.
What is the molecular weight of N1-(4-chloro-2-nitrophenyl)-3-bromobutanamide?
The molecular weight of N1-(4-chloro-2-nitrophenyl)-3-bromobutanamide is 319.96 g/mol.
Where can I buy N1-(4-chloro-2-nitrophenyl)-3-bromobutanamide?
You can request a quote for N1-(4-chloro-2-nitrophenyl)-3-bromobutanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N1-(4-chloro-2-nitrophenyl)-3-bromobutanamide?
Yes, KEHONG BIO provides custom synthesis services for N1-(4-chloro-2-nitrophenyl)-3-bromobutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.