N-Nitroso-N-propylurea
TL;DR: N-Nitroso-N-propylurea (CAS 816-57-9) is a chemical compound with molecular formula C4H9N3O2 and molecular weight 131.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitroso-1-propylurea
Also Known As: 1-Nitroso-1-propylurea, N-Propyl-N-nitrosourea, Nitrosopropylurea, Propylnitrosourea, N-Nitroso-N-propylurea
| Molecular Formula | C4H9N3O2 |
|---|---|
| Molecular Weight | 131.07 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 75.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 131.06947 |
| Heavy Atoms | 9 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 816-57-9 |
|---|---|
| SMILES | CCCN(C(=O)N)N=O |
| InChIKey | YGGSSUISOYLCBF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Nitroso-N-propylurea (CAS 816-57-9), with molecular formula C4H9N3O2 and molecular weight 131.07 g/mol. IUPAC: 1-nitroso-1-propylurea.
Chemical Property Profile of N-Nitroso-N-propylurea
Property Insights of N-Nitroso-N-propylurea
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Nitroso-N-propylurea. The TPSA of 75.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Nitroso-N-propylurea. Following Lipinski's Rule of Five, N-Nitroso-N-propylurea 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-propylurea?
The CAS number of N-Nitroso-N-propylurea is 816-57-9.
What is the molecular formula of N-Nitroso-N-propylurea?
The molecular formula of N-Nitroso-N-propylurea is C4H9N3O2.
What is the molecular weight of N-Nitroso-N-propylurea?
The molecular weight of N-Nitroso-N-propylurea is 131.07 g/mol.
Where can I buy N-Nitroso-N-propylurea?
You can request a quote for N-Nitroso-N-propylurea 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-propylurea?
Yes, KEHONG BIO provides custom synthesis services for N-Nitroso-N-propylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.