N-methyl-N-nitroso-N'-phenylurea
TL;DR: N-methyl-N-nitroso-N'-phenylurea (CAS 21561-99-9) is a chemical compound with molecular formula C8H9N3O2 and molecular weight 179.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-1-nitroso-3-phenylurea
Also Known As: 1-Methyl-1-nitroso-3-phenylurea, MPNU, Methylphenylnitrosourea, Nitrosomethylphenylurea, N-Methyl-N'-phenyl-N-nitrosourea
| Molecular Formula | C8H9N3O2 |
|---|---|
| Molecular Weight | 179.07 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.06947 |
| Heavy Atoms | 13 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 21561-99-9 |
|---|---|
| SMILES | CN(C(=O)NC1=CC=CC=C1)N=O |
| InChIKey | GZHRIEZGSLSDRF-UHFFFAOYSA-N |
Product Overview
N-methyl-N-nitroso-N'-phenylurea (CAS 21561-99-9), with molecular formula C8H9N3O2 and molecular weight 179.07 g/mol. IUPAC: 1-methyl-1-nitroso-3-phenylurea.
Chemical Property Profile of N-methyl-N-nitroso-N'-phenylurea
Property Insights of N-methyl-N-nitroso-N'-phenylurea
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-methyl-N-nitroso-N'-phenylurea. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-methyl-N-nitroso-N'-phenylurea. Following Lipinski's Rule of Five, N-methyl-N-nitroso-N'-phenylurea 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 N-methyl-N-nitroso-N'-phenylurea?
The CAS number of N-methyl-N-nitroso-N'-phenylurea is 21561-99-9.
What is the molecular formula of N-methyl-N-nitroso-N'-phenylurea?
The molecular formula of N-methyl-N-nitroso-N'-phenylurea is C8H9N3O2.
What is the molecular weight of N-methyl-N-nitroso-N'-phenylurea?
The molecular weight of N-methyl-N-nitroso-N'-phenylurea is 179.07 g/mol.
Where can I buy N-methyl-N-nitroso-N'-phenylurea?
You can request a quote for N-methyl-N-nitroso-N'-phenylurea 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-nitroso-N'-phenylurea?
Yes, KEHONG BIO provides custom synthesis services for N-methyl-N-nitroso-N'-phenylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.