2-chloro-N,N-dimethyl-5-nitrobenzamide
TL;DR: 2-chloro-N,N-dimethyl-5-nitrobenzamide (CAS 60587-79-3) 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.
2-chloro-N,N-dimethyl-5-nitrobenzamide
Also Known As: 2-chloro-N,N-dimethyl-5-nitrobenzamide, 2-chloro-N,N-dimethyl-5-nitro-benzamide, Benzamide, 2-chloro-N,N-dimethyl-5-nitro-
| Molecular Formula | C9H9ClN2O3 |
|---|---|
| Molecular Weight | 228.03 g/mol |
| LogP | 1.95 |
| Topological Polar Surface Area | 63.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.03017 |
| Heavy Atoms | 15 |
| Complexity | 417.8185 |
Chemical Identifiers
| CAS Number | 60587-79-3 |
|---|---|
| SMILES | CN(C)C(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Cl |
Product Overview
2-chloro-N,N-dimethyl-5-nitrobenzamide (CAS 60587-79-3), with molecular formula C9H9ClN2O3 and molecular weight 228.03 g/mol. IUPAC: 2-chloro-N,N-dimethyl-5-nitrobenzamide.
Chemical Property Profile of 2-chloro-N,N-dimethyl-5-nitrobenzamide
Property Insights of 2-chloro-N,N-dimethyl-5-nitrobenzamide
The XLogP value of 1.95 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-N,N-dimethyl-5-nitrobenzamide. The TPSA of 63.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-N,N-dimethyl-5-nitrobenzamide. Following Lipinski's Rule of Five, 2-chloro-N,N-dimethyl-5-nitrobenzamide has 0 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 2-chloro-N,N-dimethyl-5-nitrobenzamide?
The CAS number of 2-chloro-N,N-dimethyl-5-nitrobenzamide is 60587-79-3.
What is the molecular formula of 2-chloro-N,N-dimethyl-5-nitrobenzamide?
The molecular formula of 2-chloro-N,N-dimethyl-5-nitrobenzamide is C9H9ClN2O3.
What is the molecular weight of 2-chloro-N,N-dimethyl-5-nitrobenzamide?
The molecular weight of 2-chloro-N,N-dimethyl-5-nitrobenzamide is 228.03 g/mol.
Where can I buy 2-chloro-N,N-dimethyl-5-nitrobenzamide?
You can request a quote for 2-chloro-N,N-dimethyl-5-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-N,N-dimethyl-5-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N,N-dimethyl-5-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.