N,N-diethyl-N'-methyl-N'-nitrosourea
TL;DR: N,N-diethyl-N'-methyl-N'-nitrosourea (CAS 50285-72-8) is a chemical compound with molecular formula C6H13N3O2 and molecular weight 159.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-diethyl-3-methyl-3-nitrosourea
Also Known As: Diethylmethylnitrosourea, Nitrosomethyldiethylurea, 1,1-Diethyl-3-methyl-3-nitrosourea, DEMNU, Nitrosomethyldiaethylharnstoff
| Molecular Formula | C6H13N3O2 |
|---|---|
| Molecular Weight | 159.10 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 159.10077 |
| Heavy Atoms | 11 |
| Complexity | 145.0 |
| Vapor Pressure | 0.21 [mmHg] |
Chemical Identifiers
| CAS Number | 50285-72-8 |
|---|---|
| SMILES | CCN(CC)C(=O)N(C)N=O |
| InChIKey | IQUAIARLKRYQOY-UHFFFAOYSA-N |
Product Overview
N,N-diethyl-N'-methyl-N'-nitrosourea (CAS 50285-72-8), with molecular formula C6H13N3O2 and molecular weight 159.10 g/mol. IUPAC: 1,1-diethyl-3-methyl-3-nitrosourea.
Chemical Property Profile of N,N-diethyl-N'-methyl-N'-nitrosourea
Property Insights of N,N-diethyl-N'-methyl-N'-nitrosourea
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-diethyl-N'-methyl-N'-nitrosourea. With a topological polar surface area (TPSA) of 53.0 Ų, N,N-diethyl-N'-methyl-N'-nitrosourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-diethyl-N'-methyl-N'-nitrosourea has 0 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,N-diethyl-N'-methyl-N'-nitrosourea?
The CAS number of N,N-diethyl-N'-methyl-N'-nitrosourea is 50285-72-8.
What is the molecular formula of N,N-diethyl-N'-methyl-N'-nitrosourea?
The molecular formula of N,N-diethyl-N'-methyl-N'-nitrosourea is C6H13N3O2.
What is the molecular weight of N,N-diethyl-N'-methyl-N'-nitrosourea?
The molecular weight of N,N-diethyl-N'-methyl-N'-nitrosourea is 159.10 g/mol.
Where can I buy N,N-diethyl-N'-methyl-N'-nitrosourea?
You can request a quote for N,N-diethyl-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,N-diethyl-N'-methyl-N'-nitrosourea?
Yes, KEHONG BIO provides custom synthesis services for N,N-diethyl-N'-methyl-N'-nitrosourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.