N-Methyl-N'-(p-nitrophenyl)-N'-methyl-N-nitrosourea
TL;DR: N-Methyl-N'-(p-nitrophenyl)-N'-methyl-N-nitrosourea (CAS 72586-69-7) is a chemical compound with molecular formula C9H10N4O4 and molecular weight 238.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-1-(4-nitrophenyl)-3-nitrosourea
Also Known As: NIOSH/YT0345000, N-Methyl-N'-(p-nitrophenyl)-N'-methyl-N-nitrosourea, 1,3-dimethyl-1-(4-nitrophenyl)-3-nitrosourea, Urea, N,N'-dimethyl-N-(4-nitrophenyl)-N'-nitroso-, Urea, 1,3-dimethyl-1-(p-nitrophenyl)-3-nitroso-
| Molecular Formula | C9H10N4O4 |
|---|---|
| Molecular Weight | 238.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 98.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 238.0702 |
| Heavy Atoms | 17 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 72586-69-7 |
|---|---|
| SMILES | CN(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)N(C)N=O |
| InChIKey | TYOCLJQLJIKHDG-UHFFFAOYSA-N |
Product Overview
N-Methyl-N'-(p-nitrophenyl)-N'-methyl-N-nitrosourea (CAS 72586-69-7), with molecular formula C9H10N4O4 and molecular weight 238.07 g/mol. IUPAC: 1,3-dimethyl-1-(4-nitrophenyl)-3-nitrosourea.
Chemical Property Profile of N-Methyl-N'-(p-nitrophenyl)-N'-methyl-N-nitrosourea
Property Insights of N-Methyl-N'-(p-nitrophenyl)-N'-methyl-N-nitrosourea
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methyl-N'-(p-nitrophenyl)-N'-methyl-N-nitrosourea. The TPSA of 98.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Methyl-N'-(p-nitrophenyl)-N'-methyl-N-nitrosourea. Following Lipinski's Rule of Five, N-Methyl-N'-(p-nitrophenyl)-N'-methyl-N-nitrosourea has 0 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 N-Methyl-N'-(p-nitrophenyl)-N'-methyl-N-nitrosourea?
The CAS number of N-Methyl-N'-(p-nitrophenyl)-N'-methyl-N-nitrosourea is 72586-69-7.
What is the molecular formula of N-Methyl-N'-(p-nitrophenyl)-N'-methyl-N-nitrosourea?
The molecular formula of N-Methyl-N'-(p-nitrophenyl)-N'-methyl-N-nitrosourea is C9H10N4O4.
What is the molecular weight of N-Methyl-N'-(p-nitrophenyl)-N'-methyl-N-nitrosourea?
The molecular weight of N-Methyl-N'-(p-nitrophenyl)-N'-methyl-N-nitrosourea is 238.07 g/mol.
Where can I buy N-Methyl-N'-(p-nitrophenyl)-N'-methyl-N-nitrosourea?
You can request a quote for N-Methyl-N'-(p-nitrophenyl)-N'-methyl-N-nitrosourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methyl-N'-(p-nitrophenyl)-N'-methyl-N-nitrosourea?
Yes, KEHONG BIO provides custom synthesis services for N-Methyl-N'-(p-nitrophenyl)-N'-methyl-N-nitrosourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.