1-(2-Chloro-4-nitrophenyl)-3-(dimethylamino)urea
TL;DR: 1-(2-Chloro-4-nitrophenyl)-3-(dimethylamino)urea (CAS 6664-60-4) is a chemical compound with molecular formula C9H11ClN4O3 and molecular weight 258.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloro-4-nitrophenyl)-3-(dimethylamino)urea
Also Known As: 1-(2-chloro-4-nitrophenyl)-3-(dimethylamino)urea, 1-(2-chloro-4-nitro-phenyl)-3-dimethylamino-urea, 4-(2-CHLORO-4-NITROPHENYL)-1,1-DIMETHYLSEMICARBAZIDE, N-(2-Chloro-4-nitrophenyl)-2,2-dimethylhydrazine-1-carboxamide, RefChem:223304
| Molecular Formula | C9H11ClN4O3 |
|---|---|
| Molecular Weight | 258.05 g/mol |
| LogP | 1.8463 |
| Topological Polar Surface Area | 87.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.05197 |
| Heavy Atoms | 17 |
| Complexity | 449.86716 |
Chemical Identifiers
| CAS Number | 6664-60-4 |
|---|---|
| SMILES | CN(C)NC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl |
Product Overview
1-(2-Chloro-4-nitrophenyl)-3-(dimethylamino)urea (CAS 6664-60-4), with molecular formula C9H11ClN4O3 and molecular weight 258.05 g/mol. IUPAC: 1-(2-chloro-4-nitrophenyl)-3-(dimethylamino)urea.
Chemical Property Profile of 1-(2-Chloro-4-nitrophenyl)-3-(dimethylamino)urea
Property Insights of 1-(2-Chloro-4-nitrophenyl)-3-(dimethylamino)urea
The XLogP value of 1.8463 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Chloro-4-nitrophenyl)-3-(dimethylamino)urea. The TPSA of 87.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Chloro-4-nitrophenyl)-3-(dimethylamino)urea. Following Lipinski's Rule of Five, 1-(2-Chloro-4-nitrophenyl)-3-(dimethylamino)urea has 2 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-Chloro-4-nitrophenyl)-3-(dimethylamino)urea?
The CAS number of 1-(2-Chloro-4-nitrophenyl)-3-(dimethylamino)urea is 6664-60-4.
What is the molecular formula of 1-(2-Chloro-4-nitrophenyl)-3-(dimethylamino)urea?
The molecular formula of 1-(2-Chloro-4-nitrophenyl)-3-(dimethylamino)urea is C9H11ClN4O3.
What is the molecular weight of 1-(2-Chloro-4-nitrophenyl)-3-(dimethylamino)urea?
The molecular weight of 1-(2-Chloro-4-nitrophenyl)-3-(dimethylamino)urea is 258.05 g/mol.
Where can I buy 1-(2-Chloro-4-nitrophenyl)-3-(dimethylamino)urea?
You can request a quote for 1-(2-Chloro-4-nitrophenyl)-3-(dimethylamino)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-Chloro-4-nitrophenyl)-3-(dimethylamino)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chloro-4-nitrophenyl)-3-(dimethylamino)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.