3,3-Dimethyl-1-(2-nitrophenyl)urea
TL;DR: 3,3-Dimethyl-1-(2-nitrophenyl)urea (CAS 36894-29-8) is a chemical compound with molecular formula C9H11N3O3 and molecular weight 209.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dimethyl-3-(2-nitrophenyl)urea
Also Known As: 3,3-dimethyl-1-(2-nitrophenyl)urea, 1,1-Dimethyl-3-(2-nitrophenyl)urea, 1,1-Dimethyl-3- urea, N,N-Dimethyl-N'-(2-nitrophenyl)urea, N,N-Dimethyl-N'-(2-nitrophenyl)urea #
| Molecular Formula | C9H11N3O3 |
|---|---|
| Molecular Weight | 209.08 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 78.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 209.08005 |
| Heavy Atoms | 15 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 36894-29-8 |
|---|---|
| SMILES | CN(C)C(=O)NC1=CC=CC=C1[N+](=O)[O-] |
| InChIKey | FRBHCWIPAUJHEP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3-Dimethyl-1-(2-nitrophenyl)urea (CAS 36894-29-8), with molecular formula C9H11N3O3 and molecular weight 209.08 g/mol. IUPAC: 1,1-dimethyl-3-(2-nitrophenyl)urea.
Chemical Property Profile of 3,3-Dimethyl-1-(2-nitrophenyl)urea
Property Insights of 3,3-Dimethyl-1-(2-nitrophenyl)urea
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dimethyl-1-(2-nitrophenyl)urea. The TPSA of 78.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3-Dimethyl-1-(2-nitrophenyl)urea. Following Lipinski's Rule of Five, 3,3-Dimethyl-1-(2-nitrophenyl)urea 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
Frequently Asked Questions
What is the CAS number of 3,3-Dimethyl-1-(2-nitrophenyl)urea?
The CAS number of 3,3-Dimethyl-1-(2-nitrophenyl)urea is 36894-29-8.
What is the molecular formula of 3,3-Dimethyl-1-(2-nitrophenyl)urea?
The molecular formula of 3,3-Dimethyl-1-(2-nitrophenyl)urea is C9H11N3O3.
What is the molecular weight of 3,3-Dimethyl-1-(2-nitrophenyl)urea?
The molecular weight of 3,3-Dimethyl-1-(2-nitrophenyl)urea is 209.08 g/mol.
Where can I buy 3,3-Dimethyl-1-(2-nitrophenyl)urea?
You can request a quote for 3,3-Dimethyl-1-(2-nitrophenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dimethyl-1-(2-nitrophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethyl-1-(2-nitrophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.