(Cyanomethyl)urea
TL;DR: (Cyanomethyl)urea (CAS 5962-07-2) is a chemical compound with molecular formula C3H5N3O and molecular weight 99.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyanomethylurea
Also Known As: 1-(cyanomethyl)urea, cyanomethylurea, (Cyanomethyl)urea, Hydantonitrile, cyanomethyl urea
| Molecular Formula | C3H5N3O |
|---|---|
| Molecular Weight | 99.04 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 99.04326 |
| Heavy Atoms | 7 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 5962-07-2 |
|---|---|
| SMILES | C(C#N)NC(=O)N |
| InChIKey | OYJHKYGWYYYRBV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(Cyanomethyl)urea (CAS 5962-07-2), with molecular formula C3H5N3O and molecular weight 99.04 g/mol. IUPAC: cyanomethylurea.
Chemical Property Profile of (Cyanomethyl)urea
Property Insights of (Cyanomethyl)urea
The XLogP value of -1.2 indicates that (Cyanomethyl)urea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (Cyanomethyl)urea. Following Lipinski's Rule of Five, (Cyanomethyl)urea has 2 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 (Cyanomethyl)urea?
The CAS number of (Cyanomethyl)urea is 5962-07-2.
What is the molecular formula of (Cyanomethyl)urea?
The molecular formula of (Cyanomethyl)urea is C3H5N3O.
What is the molecular weight of (Cyanomethyl)urea?
The molecular weight of (Cyanomethyl)urea is 99.04 g/mol.
Where can I buy (Cyanomethyl)urea?
You can request a quote for (Cyanomethyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Cyanomethyl)urea?
Yes, KEHONG BIO provides custom synthesis services for (Cyanomethyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.