N,N'-Diethyl-N'-nitrosourea
TL;DR: N,N'-Diethyl-N'-nitrosourea (CAS 49540-32-1) is a chemical compound with molecular formula C5H11N3O2 and molecular weight 145.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diethyl-1-nitrosourea
Also Known As: Nitrosodiethylurea, 1,3-Diethyl-1-nitrosourea, N-Nitrosodiethylurea, N,N'-Diethyl-N-nitrosourea, N-Nitroso-N,N'-diethylurea
| Molecular Formula | C5H11N3O2 |
|---|---|
| Molecular Weight | 145.09 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 145.08513 |
| Heavy Atoms | 10 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 49540-32-1 |
|---|---|
| SMILES | CCNC(=O)N(CC)N=O |
| InChIKey | DEWYOTJLJIGZHS-UHFFFAOYSA-N |
Product Overview
N,N'-Diethyl-N'-nitrosourea (CAS 49540-32-1), with molecular formula C5H11N3O2 and molecular weight 145.09 g/mol. IUPAC: 1,3-diethyl-1-nitrosourea.
Chemical Property Profile of N,N'-Diethyl-N'-nitrosourea
Property Insights of N,N'-Diethyl-N'-nitrosourea
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N'-Diethyl-N'-nitrosourea. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N'-Diethyl-N'-nitrosourea. Following Lipinski's Rule of Five, N,N'-Diethyl-N'-nitrosourea 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,N'-Diethyl-N'-nitrosourea?
The CAS number of N,N'-Diethyl-N'-nitrosourea is 49540-32-1.
What is the molecular formula of N,N'-Diethyl-N'-nitrosourea?
The molecular formula of N,N'-Diethyl-N'-nitrosourea is C5H11N3O2.
What is the molecular weight of N,N'-Diethyl-N'-nitrosourea?
The molecular weight of N,N'-Diethyl-N'-nitrosourea is 145.09 g/mol.
Where can I buy N,N'-Diethyl-N'-nitrosourea?
You can request a quote for N,N'-Diethyl-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'-nitrosourea?
Yes, KEHONG BIO provides custom synthesis services for N,N'-Diethyl-N'-nitrosourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.