1-(2-Chloroethyl)-3-(3,4-dichlorophenyl)-1-nitrosourea
TL;DR: 1-(2-Chloroethyl)-3-(3,4-dichlorophenyl)-1-nitrosourea (CAS 151921-87-8) is a chemical compound with molecular formula C9H8Cl3N3O2 and molecular weight 294.9682 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-chloroethyl)-3-(3,4-dichlorophenyl)-1-nitrosourea
Also Known As: Urea,4-dichlorophenyl)-1-nitroso, 1-(2-chloroethyl)-3-(3,4-dichlorophenyl)-1-nitrosourea, KST-1B0614, Urea,4-dichlorophenyl)-1-nitroso-, NCI60_000154
Technical Specifications
| Molecular Formula | C9H8Cl3N3O2 |
| Molecular Weight | 294.9682 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 61.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.9682 Da |
| Heavy Atoms | 17 |
| Complexity | 280.0 |
| SMILES | C1=CC(=C(C=C1NC(=O)N(CCCl)N=O)Cl)Cl |
| InChIKey | NCLKIDZGWJFIDA-UHFFFAOYSA-N |
Chemical Property Profile of 1-(2-Chloroethyl)-3-(3,4-dichlorophenyl)-1-nitrosourea
Property Insights of 1-(2-Chloroethyl)-3-(3,4-dichlorophenyl)-1-nitrosourea
The XLogP value of 3.9 indicates that 1-(2-Chloroethyl)-3-(3,4-dichlorophenyl)-1-nitrosourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Chloroethyl)-3-(3,4-dichlorophenyl)-1-nitrosourea. Following Lipinski's Rule of Five, 1-(2-Chloroethyl)-3-(3,4-dichlorophenyl)-1-nitrosourea 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
What is the CAS number of 1-(2-Chloroethyl)-3-(3,4-dichlorophenyl)-1-nitrosourea?
The CAS number of 1-(2-Chloroethyl)-3-(3,4-dichlorophenyl)-1-nitrosourea is 151921-87-8.
What is the molecular formula of 1-(2-Chloroethyl)-3-(3,4-dichlorophenyl)-1-nitrosourea?
The molecular formula of 1-(2-Chloroethyl)-3-(3,4-dichlorophenyl)-1-nitrosourea is C9H8Cl3N3O2.
What is the molecular weight of 1-(2-Chloroethyl)-3-(3,4-dichlorophenyl)-1-nitrosourea?
The molecular weight of 1-(2-Chloroethyl)-3-(3,4-dichlorophenyl)-1-nitrosourea is 294.9682 g/mol.
Where can I buy 1-(2-Chloroethyl)-3-(3,4-dichlorophenyl)-1-nitrosourea?
You can request a quote for 1-(2-Chloroethyl)-3-(3,4-dichlorophenyl)-1-nitrosourea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(2-Chloroethyl)-3-(3,4-dichlorophenyl)-1-nitrosourea?
Yes, CoreyChem provides custom synthesis services for 1-(2-Chloroethyl)-3-(3,4-dichlorophenyl)-1-nitrosourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.