1-Nitroso-1-(2-chloroethyl)-3,3-dimethylurea
TL;DR: 1-Nitroso-1-(2-chloroethyl)-3,3-dimethylurea (CAS 59960-30-4) is a chemical compound with molecular formula C5H10ClN3O2 and molecular weight 179.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3,3-dimethyl-1-nitrosourea
Also Known As: Nitrosochloroethyldimethylurea, Urea,N'-dimethyl-N-nitroso-, 3-(2-chloroethyl)-1,1-dimethyl-3-nitrosourea, Urea, N-(2-chloroethyl)-N',N'-dimethyl-N-nitroso-, NCI60_001974
| Molecular Formula | C5H10ClN3O2 |
|---|---|
| Molecular Weight | 179.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.04616 |
| Heavy Atoms | 11 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 59960-30-4 |
|---|---|
| SMILES | CN(C)C(=O)N(CCCl)N=O |
| InChIKey | NEQGOOOOLVHDDF-UHFFFAOYSA-N |
Product Overview
1-Nitroso-1-(2-chloroethyl)-3,3-dimethylurea (CAS 59960-30-4), with molecular formula C5H10ClN3O2 and molecular weight 179.05 g/mol. IUPAC: 1-(2-chloroethyl)-3,3-dimethyl-1-nitrosourea.
Chemical Property Profile of 1-Nitroso-1-(2-chloroethyl)-3,3-dimethylurea
Property Insights of 1-Nitroso-1-(2-chloroethyl)-3,3-dimethylurea
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Nitroso-1-(2-chloroethyl)-3,3-dimethylurea. With a topological polar surface area (TPSA) of 53.0 Ų, 1-Nitroso-1-(2-chloroethyl)-3,3-dimethylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Nitroso-1-(2-chloroethyl)-3,3-dimethylurea has 0 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-Nitroso-1-(2-chloroethyl)-3,3-dimethylurea?
The CAS number of 1-Nitroso-1-(2-chloroethyl)-3,3-dimethylurea is 59960-30-4.
What is the molecular formula of 1-Nitroso-1-(2-chloroethyl)-3,3-dimethylurea?
The molecular formula of 1-Nitroso-1-(2-chloroethyl)-3,3-dimethylurea is C5H10ClN3O2.
What is the molecular weight of 1-Nitroso-1-(2-chloroethyl)-3,3-dimethylurea?
The molecular weight of 1-Nitroso-1-(2-chloroethyl)-3,3-dimethylurea is 179.05 g/mol.
Where can I buy 1-Nitroso-1-(2-chloroethyl)-3,3-dimethylurea?
You can request a quote for 1-Nitroso-1-(2-chloroethyl)-3,3-dimethylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitroso-1-(2-chloroethyl)-3,3-dimethylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitroso-1-(2-chloroethyl)-3,3-dimethylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.