4-chloro-N,N-bis(cyanomethyl)-2-nitrobenzamide
TL;DR: 4-chloro-N,N-bis(cyanomethyl)-2-nitrobenzamide (CAS 333346-52-4) is a chemical compound with molecular formula C11H7ClN4O3 and molecular weight 278.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N,N-bis(cyanomethyl)-2-nitrobenzamide
Also Known As: 4-chloro-N,N-bis(cyanomethyl)-2-nitrobenzamide, BAS 00783341, 4-Chloro-N,N-bis-cyanomethyl-2-nitro-benzamide, (4-chloro-2-nitrophenyl)-N,N-bis(cyanomethyl)carboxamide
| Molecular Formula | C11H7ClN4O3 |
|---|---|
| Molecular Weight | 278.02 g/mol |
| LogP | 1.73756 |
| Topological Polar Surface Area | 111.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.02066 |
| Heavy Atoms | 19 |
| Complexity | 586.93835 |
Chemical Identifiers
| CAS Number | 333346-52-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)[N+](=O)[O-])C(=O)N(CC#N)CC#N |
Product Overview
4-chloro-N,N-bis(cyanomethyl)-2-nitrobenzamide (CAS 333346-52-4), with molecular formula C11H7ClN4O3 and molecular weight 278.02 g/mol. IUPAC: 4-chloro-N,N-bis(cyanomethyl)-2-nitrobenzamide.
Chemical Property Profile of 4-chloro-N,N-bis(cyanomethyl)-2-nitrobenzamide
Property Insights of 4-chloro-N,N-bis(cyanomethyl)-2-nitrobenzamide
The XLogP value of 1.73756 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-N,N-bis(cyanomethyl)-2-nitrobenzamide. The TPSA of 111.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-N,N-bis(cyanomethyl)-2-nitrobenzamide. Following Lipinski's Rule of Five, 4-chloro-N,N-bis(cyanomethyl)-2-nitrobenzamide has 0 hydrogen bond donor(s) and 5 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-N,N-bis(cyanomethyl)-2-nitrobenzamide?
The CAS number of 4-chloro-N,N-bis(cyanomethyl)-2-nitrobenzamide is 333346-52-4.
What is the molecular formula of 4-chloro-N,N-bis(cyanomethyl)-2-nitrobenzamide?
The molecular formula of 4-chloro-N,N-bis(cyanomethyl)-2-nitrobenzamide is C11H7ClN4O3.
What is the molecular weight of 4-chloro-N,N-bis(cyanomethyl)-2-nitrobenzamide?
The molecular weight of 4-chloro-N,N-bis(cyanomethyl)-2-nitrobenzamide is 278.02 g/mol.
Where can I buy 4-chloro-N,N-bis(cyanomethyl)-2-nitrobenzamide?
You can request a quote for 4-chloro-N,N-bis(cyanomethyl)-2-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-N,N-bis(cyanomethyl)-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N,N-bis(cyanomethyl)-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.