N-butyl-2-chloro-5-nitrobenzamide
TL;DR: N-butyl-2-chloro-5-nitrobenzamide (CAS 68505-92-0) is a chemical compound with molecular formula C11H13ClN2O3 and molecular weight 256.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-2-chloro-5-nitrobenzamide
Also Known As: N-Butyl-2-chloro-5-nitrobenzamide, EINECS 270-927-5, N-butyl-2-chloro-5-nitro-benzamide, Benzamide,N-butyl-2-chloro-5-nitro-, N-Butyl-2-chloro-5-nitrobenzene-1-carboximidic acid
| Molecular Formula | C11H13ClN2O3 |
|---|---|
| Molecular Weight | 256.06 g/mol |
| LogP | 2.7781 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 256.06146 |
| Heavy Atoms | 17 |
| Complexity | 434.72476 |
Chemical Identifiers
| CAS Number | 68505-92-0 |
|---|---|
| SMILES | CCCCNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Cl |
Product Overview
N-butyl-2-chloro-5-nitrobenzamide (CAS 68505-92-0), with molecular formula C11H13ClN2O3 and molecular weight 256.06 g/mol. IUPAC: N-butyl-2-chloro-5-nitrobenzamide.
Chemical Property Profile of N-butyl-2-chloro-5-nitrobenzamide
Property Insights of N-butyl-2-chloro-5-nitrobenzamide
The XLogP value of 2.7781 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-butyl-2-chloro-5-nitrobenzamide. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for N-butyl-2-chloro-5-nitrobenzamide. Following Lipinski's Rule of Five, N-butyl-2-chloro-5-nitrobenzamide 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-butyl-2-chloro-5-nitrobenzamide?
The CAS number of N-butyl-2-chloro-5-nitrobenzamide is 68505-92-0.
What is the molecular formula of N-butyl-2-chloro-5-nitrobenzamide?
The molecular formula of N-butyl-2-chloro-5-nitrobenzamide is C11H13ClN2O3.
What is the molecular weight of N-butyl-2-chloro-5-nitrobenzamide?
The molecular weight of N-butyl-2-chloro-5-nitrobenzamide is 256.06 g/mol.
Where can I buy N-butyl-2-chloro-5-nitrobenzamide?
You can request a quote for N-butyl-2-chloro-5-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-butyl-2-chloro-5-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-butyl-2-chloro-5-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.