N-Butyl-N'-hydroxyurea
TL;DR: N-Butyl-N'-hydroxyurea (CAS 5681-57-2) is a chemical compound with molecular formula C5H12N2O2 and molecular weight 132.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-3-hydroxyurea
Also Known As: N-Butyl-N'-hydroxyurea, 1-butyl-3-hydroxyurea, 1-Hydroxy-3-butylurea, 3-Butyl-1-hydroxyurea, Urea, N-butyl-N'-hydroxy-
| Molecular Formula | C5H12N2O2 |
|---|---|
| Molecular Weight | 132.09 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 61.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 132.08987 |
| Heavy Atoms | 9 |
| Complexity | 85.0 |
Chemical Identifiers
| CAS Number | 5681-57-2 |
|---|---|
| SMILES | CCCCNC(=O)NO |
| InChIKey | APTFDFXACXBQDO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Butyl-N'-hydroxyurea (CAS 5681-57-2), with molecular formula C5H12N2O2 and molecular weight 132.09 g/mol. IUPAC: 1-butyl-3-hydroxyurea.
Chemical Property Profile of N-Butyl-N'-hydroxyurea
Property Insights of N-Butyl-N'-hydroxyurea
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Butyl-N'-hydroxyurea. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Butyl-N'-hydroxyurea. Following Lipinski's Rule of Five, N-Butyl-N'-hydroxyurea has 3 hydrogen bond donor(s) and 2 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-Butyl-N'-hydroxyurea?
The CAS number of N-Butyl-N'-hydroxyurea is 5681-57-2.
What is the molecular formula of N-Butyl-N'-hydroxyurea?
The molecular formula of N-Butyl-N'-hydroxyurea is C5H12N2O2.
What is the molecular weight of N-Butyl-N'-hydroxyurea?
The molecular weight of N-Butyl-N'-hydroxyurea is 132.09 g/mol.
Where can I buy N-Butyl-N'-hydroxyurea?
You can request a quote for N-Butyl-N'-hydroxyurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Butyl-N'-hydroxyurea?
Yes, KEHONG BIO provides custom synthesis services for N-Butyl-N'-hydroxyurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.