1-(2-Oxopropyl)nitroso-3-(2-chloroethyl)urea
TL;DR: 1-(2-Oxopropyl)nitroso-3-(2-chloroethyl)urea (CAS 110559-85-8) is a chemical compound with molecular formula C6H10ClN3O3 and molecular weight 207.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chloroethyl)-1-nitroso-1-(2-oxopropyl)urea
Also Known As: 1-Nitroso-1-oxopropyl-3-chloroethylurea, 1-(2-Oxopropyl)nitroso-3-(2-chloroethyl)urea, N'-(2-Chloroethyl)-N-nitroso-N-(2-oxopropyl)urea, 3-(2-chloroethyl)-1-nitroso-1-(2-oxopropyl)urea, N'-(2-Chloroethyl)-N-(2-oxopropyl)-N-nitrosourea
| Molecular Formula | C6H10ClN3O3 |
|---|---|
| Molecular Weight | 207.04 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 78.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 207.04106 |
| Heavy Atoms | 13 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 110559-85-8 |
|---|---|
| SMILES | CC(=O)CN(C(=O)NCCCl)N=O |
| InChIKey | KTTAHABZUYACCH-UHFFFAOYSA-N |
Product Overview
1-(2-Oxopropyl)nitroso-3-(2-chloroethyl)urea (CAS 110559-85-8), with molecular formula C6H10ClN3O3 and molecular weight 207.04 g/mol. IUPAC: 3-(2-chloroethyl)-1-nitroso-1-(2-oxopropyl)urea.
Chemical Property Profile of 1-(2-Oxopropyl)nitroso-3-(2-chloroethyl)urea
Property Insights of 1-(2-Oxopropyl)nitroso-3-(2-chloroethyl)urea
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Oxopropyl)nitroso-3-(2-chloroethyl)urea. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Oxopropyl)nitroso-3-(2-chloroethyl)urea. Following Lipinski's Rule of Five, 1-(2-Oxopropyl)nitroso-3-(2-chloroethyl)urea 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 1-(2-Oxopropyl)nitroso-3-(2-chloroethyl)urea?
The CAS number of 1-(2-Oxopropyl)nitroso-3-(2-chloroethyl)urea is 110559-85-8.
What is the molecular formula of 1-(2-Oxopropyl)nitroso-3-(2-chloroethyl)urea?
The molecular formula of 1-(2-Oxopropyl)nitroso-3-(2-chloroethyl)urea is C6H10ClN3O3.
What is the molecular weight of 1-(2-Oxopropyl)nitroso-3-(2-chloroethyl)urea?
The molecular weight of 1-(2-Oxopropyl)nitroso-3-(2-chloroethyl)urea is 207.04 g/mol.
Where can I buy 1-(2-Oxopropyl)nitroso-3-(2-chloroethyl)urea?
You can request a quote for 1-(2-Oxopropyl)nitroso-3-(2-chloroethyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Oxopropyl)nitroso-3-(2-chloroethyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Oxopropyl)nitroso-3-(2-chloroethyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.