Butyl(2-oxopropyl)nitrosamine
TL;DR: Butyl(2-oxopropyl)nitrosamine (CAS 51938-15-9) is a chemical compound with molecular formula C7H14N2O2 and molecular weight 158.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-N-(2-oxopropyl)nitrous amide
Also Known As: BOPN, 1-(Butylnitrosoamino)-2-propanone, Butyl(2-oxopropyl)nitrosamine, Butyl(2-oxypropyl)nitrosamine, Butyl(2-oxopropyl)nitrosoamine
| Molecular Formula | C7H14N2O2 |
|---|---|
| Molecular Weight | 158.11 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 158.10553 |
| Heavy Atoms | 11 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 51938-15-9 |
|---|---|
| SMILES | CCCCN(CC(=O)C)N=O |
| InChIKey | FPXGNLJKZKCTNE-UHFFFAOYSA-N |
Product Overview
Butyl(2-oxopropyl)nitrosamine (CAS 51938-15-9), with molecular formula C7H14N2O2 and molecular weight 158.11 g/mol. IUPAC: N-butyl-N-(2-oxopropyl)nitrous amide.
Chemical Property Profile of Butyl(2-oxopropyl)nitrosamine
Property Insights of Butyl(2-oxopropyl)nitrosamine
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl(2-oxopropyl)nitrosamine. With a topological polar surface area (TPSA) of 49.7 Ų, Butyl(2-oxopropyl)nitrosamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl(2-oxopropyl)nitrosamine has 0 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 Butyl(2-oxopropyl)nitrosamine?
The CAS number of Butyl(2-oxopropyl)nitrosamine is 51938-15-9.
What is the molecular formula of Butyl(2-oxopropyl)nitrosamine?
The molecular formula of Butyl(2-oxopropyl)nitrosamine is C7H14N2O2.
What is the molecular weight of Butyl(2-oxopropyl)nitrosamine?
The molecular weight of Butyl(2-oxopropyl)nitrosamine is 158.11 g/mol.
Where can I buy Butyl(2-oxopropyl)nitrosamine?
You can request a quote for Butyl(2-oxopropyl)nitrosamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl(2-oxopropyl)nitrosamine?
Yes, KEHONG BIO provides custom synthesis services for Butyl(2-oxopropyl)nitrosamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.