1-(2-Chloroethyldiazenyl)-1,3-dimethylurea
TL;DR: 1-(2-Chloroethyldiazenyl)-1,3-dimethylurea (CAS 113274-31-0) is a chemical compound with molecular formula C5H11ClN4O and molecular weight 178.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyldiazenyl)-1,3-dimethylurea
Also Known As: 2-Triazene-1-carboxamide,1-dimethyl-, NCI60_004623, 1-(2-chloroethyldiazenyl)-1,3-dimethylurea, 1-(2-chloroethyl)-3-methyl-3-(N-methylcarbamoyl)triazene, 3-[2-(2-chloroethyl)diazen-1-yl]-1,3-dimethylurea
| Molecular Formula | C5H11ClN4O |
|---|---|
| Molecular Weight | 178.06 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 57.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.06213 |
| Heavy Atoms | 11 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 113274-31-0 |
|---|---|
| SMILES | CNC(=O)N(C)N=NCCCl |
| InChIKey | CJLYVUNRUJYSGI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2-Chloroethyldiazenyl)-1,3-dimethylurea (CAS 113274-31-0), with molecular formula C5H11ClN4O and molecular weight 178.06 g/mol. IUPAC: 1-(2-chloroethyldiazenyl)-1,3-dimethylurea.
Chemical Property Profile of 1-(2-Chloroethyldiazenyl)-1,3-dimethylurea
Property Insights of 1-(2-Chloroethyldiazenyl)-1,3-dimethylurea
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Chloroethyldiazenyl)-1,3-dimethylurea. With a topological polar surface area (TPSA) of 57.1 Ų, 1-(2-Chloroethyldiazenyl)-1,3-dimethylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Chloroethyldiazenyl)-1,3-dimethylurea has 1 hydrogen bond donor(s) and 3 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-Chloroethyldiazenyl)-1,3-dimethylurea?
The CAS number of 1-(2-Chloroethyldiazenyl)-1,3-dimethylurea is 113274-31-0.
What is the molecular formula of 1-(2-Chloroethyldiazenyl)-1,3-dimethylurea?
The molecular formula of 1-(2-Chloroethyldiazenyl)-1,3-dimethylurea is C5H11ClN4O.
What is the molecular weight of 1-(2-Chloroethyldiazenyl)-1,3-dimethylurea?
The molecular weight of 1-(2-Chloroethyldiazenyl)-1,3-dimethylurea is 178.06 g/mol.
Where can I buy 1-(2-Chloroethyldiazenyl)-1,3-dimethylurea?
You can request a quote for 1-(2-Chloroethyldiazenyl)-1,3-dimethylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Chloroethyldiazenyl)-1,3-dimethylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloroethyldiazenyl)-1,3-dimethylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.