N-(4-Hydroxybutyl)-N-nitrosourea
TL;DR: N-(4-Hydroxybutyl)-N-nitrosourea (CAS 108278-69-9) is a chemical compound with molecular formula C5H11N3O3 and molecular weight 161.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-hydroxybutyl)-1-nitrosourea
Also Known As: N-(4-Hydroxybutyl)-N-nitrosourea, 1-(4-hydroxybutyl)-1-nitrosourea, Urea,N-(4-hydroxybutyl)-N-nitroso-, N-(4-hydroxybutyl)-N-nitroso-Urea, Urea,N-(4-hydroxybutyl)-N-nitroso
| Molecular Formula | C5H11N3O3 |
|---|---|
| Molecular Weight | 161.08 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 96.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 161.08005 |
| Heavy Atoms | 11 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 108278-69-9 |
|---|---|
| SMILES | C(CCO)CN(C(=O)N)N=O |
| InChIKey | QCWHWSHWDMNXAP-UHFFFAOYSA-N |
Product Overview
N-(4-Hydroxybutyl)-N-nitrosourea (CAS 108278-69-9), with molecular formula C5H11N3O3 and molecular weight 161.08 g/mol. IUPAC: 1-(4-hydroxybutyl)-1-nitrosourea.
Chemical Property Profile of N-(4-Hydroxybutyl)-N-nitrosourea
Property Insights of N-(4-Hydroxybutyl)-N-nitrosourea
The XLogP value of -0.1 indicates that N-(4-Hydroxybutyl)-N-nitrosourea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 96.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-Hydroxybutyl)-N-nitrosourea. Following Lipinski's Rule of Five, N-(4-Hydroxybutyl)-N-nitrosourea has 2 hydrogen bond donor(s) and 4 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-(4-Hydroxybutyl)-N-nitrosourea?
The CAS number of N-(4-Hydroxybutyl)-N-nitrosourea is 108278-69-9.
What is the molecular formula of N-(4-Hydroxybutyl)-N-nitrosourea?
The molecular formula of N-(4-Hydroxybutyl)-N-nitrosourea is C5H11N3O3.
What is the molecular weight of N-(4-Hydroxybutyl)-N-nitrosourea?
The molecular weight of N-(4-Hydroxybutyl)-N-nitrosourea is 161.08 g/mol.
Where can I buy N-(4-Hydroxybutyl)-N-nitrosourea?
You can request a quote for N-(4-Hydroxybutyl)-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-(4-Hydroxybutyl)-N-nitrosourea?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Hydroxybutyl)-N-nitrosourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.