5-(N,N-bis(2-chloroethyl)amino)-2,4-dinitrobenzamide
TL;DR: 5-(N,N-bis(2-chloroethyl)amino)-2,4-dinitrobenzamide (CAS 142439-61-0) is a chemical compound with molecular formula C11H12Cl2N4O5 and molecular weight 350.01846 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[bis(2-chloroethyl)amino]-2,4-dinitrobenzamide
Also Known As: 5-[bis(2-chloroethyl)amino]-2,4-dinitrobenzamide, SN 23862, 5-[BIS-2(CHLORO-ETHYL)-AMINO]-2,4-DINTRO-BENZAMIDE, 5-(N,N-bis -2,4-dinitrobenzamide, 5-(N,N-Bis(2-chloroethyl)amino)-2,4-dinitrobenzamide
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H12Cl2N4O5 |
| Molecular Weight | 350.01846 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 350.01846 Da |
| Heavy Atoms | 22 |
| Complexity | 422.0 |
| SMILES | C1=C(C(=CC(=C1N(CCCl)CCCl)[N+](=O)[O-])[N+](=O)[O-])C(=O)N |
| InChIKey | DQMALWRRERBILB-UHFFFAOYSA-N |
Chemical Property Profile of 5-(N,N-bis(2-chloroethyl)amino)-2,4-dinitrobenzamide
Property Insights of 5-(N,N-bis(2-chloroethyl)amino)-2,4-dinitrobenzamide
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(N,N-bis(2-chloroethyl)amino)-2,4-dinitrobenzamide. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(N,N-bis(2-chloroethyl)amino)-2,4-dinitrobenzamide. Following Lipinski's Rule of Five, 5-(N,N-bis(2-chloroethyl)amino)-2,4-dinitrobenzamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-(N,N-bis(2-chloroethyl)amino)-2,4-dinitrobenzamide?
The CAS number of 5-(N,N-bis(2-chloroethyl)amino)-2,4-dinitrobenzamide is 142439-61-0.
What is the molecular formula of 5-(N,N-bis(2-chloroethyl)amino)-2,4-dinitrobenzamide?
The molecular formula of 5-(N,N-bis(2-chloroethyl)amino)-2,4-dinitrobenzamide is C11H12Cl2N4O5.
What is the molecular weight of 5-(N,N-bis(2-chloroethyl)amino)-2,4-dinitrobenzamide?
The molecular weight of 5-(N,N-bis(2-chloroethyl)amino)-2,4-dinitrobenzamide is 350.01846 g/mol.
Where can I buy 5-(N,N-bis(2-chloroethyl)amino)-2,4-dinitrobenzamide?
You can request a quote for 5-(N,N-bis(2-chloroethyl)amino)-2,4-dinitrobenzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(N,N-bis(2-chloroethyl)amino)-2,4-dinitrobenzamide?
Yes, CoreyChem provides custom synthesis services for 5-(N,N-bis(2-chloroethyl)amino)-2,4-dinitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.