![1-{3-[(2-Chloro-4-nitrophenyl)amino]propyl}urea structure](/static/products/847/847469-83-4.png)
1-{3-[(2-Chloro-4-nitrophenyl)amino]propyl}urea
TL;DR: 1-{3-[(2-Chloro-4-nitrophenyl)amino]propyl}urea (CAS 847469-83-4) is a chemical compound with molecular formula C10H13ClN4O3 and molecular weight 272.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chloro-4-nitroanilino)propylurea
Also Known As: 3-(2-chloro-4-nitroanilino)propylurea, 1-{3-[(2-chloro-4-nitrophenyl)amino]propyl}urea
| Molecular Formula | C10H13ClN4O3 |
|---|---|
| Molecular Weight | 272.07 g/mol |
| LogP | 1.7185 |
| Topological Polar Surface Area | 110.29 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 272.06763 |
| Heavy Atoms | 18 |
| Complexity | 452.74896 |
Chemical Identifiers
| CAS Number | 847469-83-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])Cl)NCCCNC(=O)N |
Product Overview
1-{3-[(2-Chloro-4-nitrophenyl)amino]propyl}urea (CAS 847469-83-4), with molecular formula C10H13ClN4O3 and molecular weight 272.07 g/mol. IUPAC: 3-(2-chloro-4-nitroanilino)propylurea.
Chemical Property Profile of 1-{3-[(2-Chloro-4-nitrophenyl)amino]propyl}urea
Property Insights of 1-{3-[(2-Chloro-4-nitrophenyl)amino]propyl}urea
The XLogP value of 1.7185 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{3-[(2-Chloro-4-nitrophenyl)amino]propyl}urea. The TPSA of 110.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{3-[(2-Chloro-4-nitrophenyl)amino]propyl}urea. Following Lipinski's Rule of Five, 1-{3-[(2-Chloro-4-nitrophenyl)amino]propyl}urea has 3 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-{3-[(2-Chloro-4-nitrophenyl)amino]propyl}urea?
The CAS number of 1-{3-[(2-Chloro-4-nitrophenyl)amino]propyl}urea is 847469-83-4.
What is the molecular formula of 1-{3-[(2-Chloro-4-nitrophenyl)amino]propyl}urea?
The molecular formula of 1-{3-[(2-Chloro-4-nitrophenyl)amino]propyl}urea is C10H13ClN4O3.
What is the molecular weight of 1-{3-[(2-Chloro-4-nitrophenyl)amino]propyl}urea?
The molecular weight of 1-{3-[(2-Chloro-4-nitrophenyl)amino]propyl}urea is 272.07 g/mol.
Where can I buy 1-{3-[(2-Chloro-4-nitrophenyl)amino]propyl}urea?
You can request a quote for 1-{3-[(2-Chloro-4-nitrophenyl)amino]propyl}urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{3-[(2-Chloro-4-nitrophenyl)amino]propyl}urea?
Yes, KEHONG BIO provides custom synthesis services for 1-{3-[(2-Chloro-4-nitrophenyl)amino]propyl}urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.