Benzamide, N-(cyanomethyl)-N-methyl-4-nitro-
TL;DR: Benzamide, N-(cyanomethyl)-N-methyl-4-nitro- (CAS 22978-12-7) is a chemical compound with molecular formula C10H9N3O3 and molecular weight 219.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(cyanomethyl)-N-methyl-4-nitrobenzamide
Also Known As: Benzamide, N-(cyanomethyl)-N-methyl-4-nitro-, N-(cyanomethyl)-N-methyl-4-nitrobenzamide
| Molecular Formula | C10H9N3O3 |
|---|---|
| Molecular Weight | 219.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.06439 |
| Heavy Atoms | 16 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 22978-12-7 |
|---|---|
| SMILES | CN(CC#N)C(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | OVQZFYYQTWBVNY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzamide, N-(cyanomethyl)-N-methyl-4-nitro- (CAS 22978-12-7), with molecular formula C10H9N3O3 and molecular weight 219.06 g/mol. IUPAC: N-(cyanomethyl)-N-methyl-4-nitrobenzamide.
Chemical Property Profile of Benzamide, N-(cyanomethyl)-N-methyl-4-nitro-
Property Insights of Benzamide, N-(cyanomethyl)-N-methyl-4-nitro-
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzamide, N-(cyanomethyl)-N-methyl-4-nitro-. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzamide, N-(cyanomethyl)-N-methyl-4-nitro-. Following Lipinski's Rule of Five, Benzamide, N-(cyanomethyl)-N-methyl-4-nitro- has 0 hydrogen bond donor(s) and 4 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 Benzamide, N-(cyanomethyl)-N-methyl-4-nitro-?
The CAS number of Benzamide, N-(cyanomethyl)-N-methyl-4-nitro- is 22978-12-7.
What is the molecular formula of Benzamide, N-(cyanomethyl)-N-methyl-4-nitro-?
The molecular formula of Benzamide, N-(cyanomethyl)-N-methyl-4-nitro- is C10H9N3O3.
What is the molecular weight of Benzamide, N-(cyanomethyl)-N-methyl-4-nitro-?
The molecular weight of Benzamide, N-(cyanomethyl)-N-methyl-4-nitro- is 219.06 g/mol.
Where can I buy Benzamide, N-(cyanomethyl)-N-methyl-4-nitro-?
You can request a quote for Benzamide, N-(cyanomethyl)-N-methyl-4-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzamide, N-(cyanomethyl)-N-methyl-4-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzamide, N-(cyanomethyl)-N-methyl-4-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.