N-(2-Chloroethyl)-N'-(2-cyanoethyl)-N-nitrosourea
TL;DR: N-(2-Chloroethyl)-N'-(2-cyanoethyl)-N-nitrosourea (CAS 77113-52-1) is a chemical compound with molecular formula C6H9ClN4O2 and molecular weight 204.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-(2-cyanoethyl)-1-nitrosourea
Also Known As: N-(2-Chloroethyl)-N'-(2-cyanoethyl)-N-nitrosourea, 1-(2-chloroethyl)-3-(2-cyanoethyl)-1-nitrosourea, 1-(2-chloroethyl)-1-nitroso-3-(2-cyanoethyl)-urea, RefChem:360593
| Molecular Formula | C6H9ClN4O2 |
|---|---|
| Molecular Weight | 204.04 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 85.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 204.0414 |
| Heavy Atoms | 13 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 77113-52-1 |
|---|---|
| SMILES | C(CNC(=O)N(CCCl)N=O)C#N |
| InChIKey | RHHUHIRUWQOEIH-UHFFFAOYSA-N |
Product Overview
N-(2-Chloroethyl)-N'-(2-cyanoethyl)-N-nitrosourea (CAS 77113-52-1), with molecular formula C6H9ClN4O2 and molecular weight 204.04 g/mol. IUPAC: 1-(2-chloroethyl)-3-(2-cyanoethyl)-1-nitrosourea.
Chemical Property Profile of N-(2-Chloroethyl)-N'-(2-cyanoethyl)-N-nitrosourea
Property Insights of N-(2-Chloroethyl)-N'-(2-cyanoethyl)-N-nitrosourea
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Chloroethyl)-N'-(2-cyanoethyl)-N-nitrosourea. The TPSA of 85.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-Chloroethyl)-N'-(2-cyanoethyl)-N-nitrosourea. Following Lipinski's Rule of Five, N-(2-Chloroethyl)-N'-(2-cyanoethyl)-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-Chloroethyl)-N'-(2-cyanoethyl)-N-nitrosourea?
The CAS number of N-(2-Chloroethyl)-N'-(2-cyanoethyl)-N-nitrosourea is 77113-52-1.
What is the molecular formula of N-(2-Chloroethyl)-N'-(2-cyanoethyl)-N-nitrosourea?
The molecular formula of N-(2-Chloroethyl)-N'-(2-cyanoethyl)-N-nitrosourea is C6H9ClN4O2.
What is the molecular weight of N-(2-Chloroethyl)-N'-(2-cyanoethyl)-N-nitrosourea?
The molecular weight of N-(2-Chloroethyl)-N'-(2-cyanoethyl)-N-nitrosourea is 204.04 g/mol.
Where can I buy N-(2-Chloroethyl)-N'-(2-cyanoethyl)-N-nitrosourea?
You can request a quote for N-(2-Chloroethyl)-N'-(2-cyanoethyl)-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-Chloroethyl)-N'-(2-cyanoethyl)-N-nitrosourea?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Chloroethyl)-N'-(2-cyanoethyl)-N-nitrosourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.