1-(2-Cyanoethyl)-1-methylurea
TL;DR: 1-(2-Cyanoethyl)-1-methylurea (CAS 686-56-6) is a chemical compound with molecular formula C5H9N3O and molecular weight 127.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-cyanoethyl)-1-methylurea
Also Known As: 1-(2-cyanoethyl)-1-methylurea, 1-(2-cyanoethyl)-1-methyl-urea, 668-983-4, RefChem:421935
| Molecular Formula | C5H9N3O |
|---|---|
| Molecular Weight | 127.07 g/mol |
| LogP | -0.08942 |
| Topological Polar Surface Area | 70.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 127.07456 |
| Heavy Atoms | 9 |
| Complexity | 137.62875 |
Chemical Identifiers
| CAS Number | 686-56-6 |
|---|---|
| SMILES | CN(CCC#N)C(=O)N |
Product Overview
1-(2-Cyanoethyl)-1-methylurea (CAS 686-56-6), with molecular formula C5H9N3O and molecular weight 127.07 g/mol. IUPAC: 1-(2-cyanoethyl)-1-methylurea.
Chemical Property Profile of 1-(2-Cyanoethyl)-1-methylurea
Property Insights of 1-(2-Cyanoethyl)-1-methylurea
The XLogP value of -0.08942 indicates that 1-(2-Cyanoethyl)-1-methylurea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 70.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Cyanoethyl)-1-methylurea. Following Lipinski's Rule of Five, 1-(2-Cyanoethyl)-1-methylurea has 1 hydrogen bond donor(s) and 2 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 1-(2-Cyanoethyl)-1-methylurea?
The CAS number of 1-(2-Cyanoethyl)-1-methylurea is 686-56-6.
What is the molecular formula of 1-(2-Cyanoethyl)-1-methylurea?
The molecular formula of 1-(2-Cyanoethyl)-1-methylurea is C5H9N3O.
What is the molecular weight of 1-(2-Cyanoethyl)-1-methylurea?
The molecular weight of 1-(2-Cyanoethyl)-1-methylurea is 127.07 g/mol.
Where can I buy 1-(2-Cyanoethyl)-1-methylurea?
You can request a quote for 1-(2-Cyanoethyl)-1-methylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Cyanoethyl)-1-methylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Cyanoethyl)-1-methylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.