N'-(2-Cyanoethyl)-N-methyl-N-nitrosourea
TL;DR: N'-(2-Cyanoethyl)-N-methyl-N-nitrosourea (CAS 89280-42-2) is a chemical compound with molecular formula C5H8N4O2 and molecular weight 156.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-cyanoethyl)-1-methyl-1-nitrosourea
Also Known As: 3-(2-cyanoethyl)-1-methyl-1-nitrosourea, N'-(2-Cyanoethyl)-N-methyl-N-nitrosourea, 1H-Pyrazole-4-sulfonic acid,3,5-dimethyl, Urea, N'-(2-cyanoethyl)-N-methyl-N-nitroso-
| Molecular Formula | C5H8N4O2 |
|---|---|
| Molecular Weight | 156.06 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 85.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 156.06473 |
| Heavy Atoms | 11 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 89280-42-2 |
|---|---|
| SMILES | CN(C(=O)NCCC#N)N=O |
| InChIKey | KAHNHXVMFBULCU-UHFFFAOYSA-N |
Product Overview
N'-(2-Cyanoethyl)-N-methyl-N-nitrosourea (CAS 89280-42-2), with molecular formula C5H8N4O2 and molecular weight 156.06 g/mol. IUPAC: 3-(2-cyanoethyl)-1-methyl-1-nitrosourea.
Chemical Property Profile of N'-(2-Cyanoethyl)-N-methyl-N-nitrosourea
Property Insights of N'-(2-Cyanoethyl)-N-methyl-N-nitrosourea
The XLogP value of -0.5 indicates that N'-(2-Cyanoethyl)-N-methyl-N-nitrosourea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 85.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-(2-Cyanoethyl)-N-methyl-N-nitrosourea. Following Lipinski's Rule of Five, N'-(2-Cyanoethyl)-N-methyl-N-nitrosourea has 1 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 N'-(2-Cyanoethyl)-N-methyl-N-nitrosourea?
The CAS number of N'-(2-Cyanoethyl)-N-methyl-N-nitrosourea is 89280-42-2.
What is the molecular formula of N'-(2-Cyanoethyl)-N-methyl-N-nitrosourea?
The molecular formula of N'-(2-Cyanoethyl)-N-methyl-N-nitrosourea is C5H8N4O2.
What is the molecular weight of N'-(2-Cyanoethyl)-N-methyl-N-nitrosourea?
The molecular weight of N'-(2-Cyanoethyl)-N-methyl-N-nitrosourea is 156.06 g/mol.
Where can I buy N'-(2-Cyanoethyl)-N-methyl-N-nitrosourea?
You can request a quote for N'-(2-Cyanoethyl)-N-methyl-N-nitrosourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-(2-Cyanoethyl)-N-methyl-N-nitrosourea?
Yes, KEHONG BIO provides custom synthesis services for N'-(2-Cyanoethyl)-N-methyl-N-nitrosourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.