1-Methyl-3-(m-nitrophenyl)-1-nitrosourea
TL;DR: 1-Methyl-3-(m-nitrophenyl)-1-nitrosourea (CAS 21562-00-5) is a chemical compound with molecular formula C8H8N4O4 and molecular weight 224.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-(3-nitrophenyl)-1-nitrosourea
Also Known As: 1-Methyl-3-(m-nitrophenyl)-1-nitrosourea, 1-methyl-3-(3-nitrophenyl)-1-nitrosourea, N-Methyl-N-nitroso-N'- 1-Methyl-3-(m-nitrophenyl)-1-nitrosourea (CAS 21562-00-5), with molecular formula C8H8N4O4 and molecular weight 224.05 g/mol. IUPAC: 1-methyl-3-(3-nitrophenyl)-1-nitrosourea.
Molecular Formula
C8H8N4O4
Molecular Weight
224.05 g/mol
LogP
1.5
Topological Polar Surface Area
108.0 Ų
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
5
Rotatable Bonds
1
Exact Mass
224.05455
Heavy Atoms
16
Complexity
290.0
Chemical Identifiers
CAS Number
21562-00-5
SMILES
CN(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])N=O
InChIKey
GMFBWUZIOOABHL-UHFFFAOYSA-NProduct Overview
Chemical Property Profile of 1-Methyl-3-(m-nitrophenyl)-1-nitrosourea
Property Insights of 1-Methyl-3-(m-nitrophenyl)-1-nitrosourea
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-3-(m-nitrophenyl)-1-nitrosourea. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-3-(m-nitrophenyl)-1-nitrosourea. Following Lipinski's Rule of Five, 1-Methyl-3-(m-nitrophenyl)-1-nitrosourea has 1 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 1-Methyl-3-(m-nitrophenyl)-1-nitrosourea?
The CAS number of 1-Methyl-3-(m-nitrophenyl)-1-nitrosourea is 21562-00-5.
What is the molecular formula of 1-Methyl-3-(m-nitrophenyl)-1-nitrosourea?
The molecular formula of 1-Methyl-3-(m-nitrophenyl)-1-nitrosourea is C8H8N4O4.
What is the molecular weight of 1-Methyl-3-(m-nitrophenyl)-1-nitrosourea?
The molecular weight of 1-Methyl-3-(m-nitrophenyl)-1-nitrosourea is 224.05 g/mol.
Where can I buy 1-Methyl-3-(m-nitrophenyl)-1-nitrosourea?
You can request a quote for 1-Methyl-3-(m-nitrophenyl)-1-nitrosourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-3-(m-nitrophenyl)-1-nitrosourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-3-(m-nitrophenyl)-1-nitrosourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.