N-Nitroso-N-butylurea
TL;DR: N-Nitroso-N-butylurea (CAS 869-01-2) 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-butyl-1-nitrosourea
Also Known As: 1-Butyl-1-nitrosourea, N-Butyl-N-nitrosourea, Nitrosobutylurea, N-Nitrosobutylurea, N-Nitroso-N-butylurea
| Molecular Formula | C5H11N3O2 |
|---|---|
| Molecular Weight | 145.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 75.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 145.08513 |
| Heavy Atoms | 10 |
| Complexity | 126.0 |
| Vapor Pressure | 0.00527 [mmHg] |
Chemical Identifiers
| CAS Number | 869-01-2 |
|---|---|
| SMILES | CCCCN(C(=O)N)N=O |
| InChIKey | LSWOCDLIYSKTRX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Nitroso-N-butylurea (CAS 869-01-2), with molecular formula C5H11N3O2 and molecular weight 145.09 g/mol. IUPAC: 1-butyl-1-nitrosourea.
Chemical Property Profile of N-Nitroso-N-butylurea
Property Insights of N-Nitroso-N-butylurea
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Nitroso-N-butylurea. The TPSA of 75.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Nitroso-N-butylurea. Following Lipinski's Rule of Five, N-Nitroso-N-butylurea 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-Nitroso-N-butylurea?
The CAS number of N-Nitroso-N-butylurea is 869-01-2.
What is the molecular formula of N-Nitroso-N-butylurea?
The molecular formula of N-Nitroso-N-butylurea is C5H11N3O2.
What is the molecular weight of N-Nitroso-N-butylurea?
The molecular weight of N-Nitroso-N-butylurea is 145.09 g/mol.
Where can I buy N-Nitroso-N-butylurea?
You can request a quote for N-Nitroso-N-butylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Nitroso-N-butylurea?
Yes, KEHONG BIO provides custom synthesis services for N-Nitroso-N-butylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.