1-(2-Chloroethyl)-3-(3-nitrophenyl)-1-nitrosourea
TL;DR: 1-(2-Chloroethyl)-3-(3-nitrophenyl)-1-nitrosourea (CAS 16490-25-8) is a chemical compound with molecular formula C9H9ClN4O4 and molecular weight 272.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-(3-nitrophenyl)-1-nitrosourea
Also Known As: 1-(2-chloroethyl)-3-(3-nitrophenyl)-1-nitrosourea, KST-1B0857, Urea, 1-(2-chloroethyl)-3-(m-nitrophenyl)-1-nitroso-, N-(2-Chloroethyl)-N'-(3-nitrophenyl)-N-nitrosourea
| Molecular Formula | C9H9ClN4O4 |
|---|---|
| Molecular Weight | 272.03 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.03122 |
| Heavy Atoms | 18 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 16490-25-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)N(CCCl)N=O |
| InChIKey | HPWSFEKAKFOHFF-UHFFFAOYSA-N |
Product Overview
1-(2-Chloroethyl)-3-(3-nitrophenyl)-1-nitrosourea (CAS 16490-25-8), with molecular formula C9H9ClN4O4 and molecular weight 272.03 g/mol. IUPAC: 1-(2-chloroethyl)-3-(3-nitrophenyl)-1-nitrosourea.
Chemical Property Profile of 1-(2-Chloroethyl)-3-(3-nitrophenyl)-1-nitrosourea
Property Insights of 1-(2-Chloroethyl)-3-(3-nitrophenyl)-1-nitrosourea
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Chloroethyl)-3-(3-nitrophenyl)-1-nitrosourea. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Chloroethyl)-3-(3-nitrophenyl)-1-nitrosourea. Following Lipinski's Rule of Five, 1-(2-Chloroethyl)-3-(3-nitrophenyl)-1-nitrosourea has 1 hydrogen bond donor(s) and 5 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-Chloroethyl)-3-(3-nitrophenyl)-1-nitrosourea?
The CAS number of 1-(2-Chloroethyl)-3-(3-nitrophenyl)-1-nitrosourea is 16490-25-8.
What is the molecular formula of 1-(2-Chloroethyl)-3-(3-nitrophenyl)-1-nitrosourea?
The molecular formula of 1-(2-Chloroethyl)-3-(3-nitrophenyl)-1-nitrosourea is C9H9ClN4O4.
What is the molecular weight of 1-(2-Chloroethyl)-3-(3-nitrophenyl)-1-nitrosourea?
The molecular weight of 1-(2-Chloroethyl)-3-(3-nitrophenyl)-1-nitrosourea is 272.03 g/mol.
Where can I buy 1-(2-Chloroethyl)-3-(3-nitrophenyl)-1-nitrosourea?
You can request a quote for 1-(2-Chloroethyl)-3-(3-nitrophenyl)-1-nitrosourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Chloroethyl)-3-(3-nitrophenyl)-1-nitrosourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloroethyl)-3-(3-nitrophenyl)-1-nitrosourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.