alpha-Acetoxy-N-nitrosopiperidine
TL;DR: alpha-Acetoxy-N-nitrosopiperidine (CAS 53198-44-0) is a chemical compound with molecular formula C7H12N2O3 and molecular weight 172.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-nitrosopiperidin-2-yl) acetate
Also Known As: alpha-Acetoxynpip, 1-nitrosopiperidin-2-yl acetate, alpha-Acetoxy-N-nitrosopiperidine, 2-acetoxy-1-nitroso-piperidine, A-acetyoxy-N-nitrosopiperidine
| Molecular Formula | C7H12N2O3 |
|---|---|
| Molecular Weight | 172.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.0848 |
| Heavy Atoms | 12 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 53198-44-0 |
|---|---|
| SMILES | CC(=O)OC1CCCCN1N=O |
| InChIKey | NGQASKUNCWVFSF-UHFFFAOYSA-N |
Product Overview
alpha-Acetoxy-N-nitrosopiperidine (CAS 53198-44-0), with molecular formula C7H12N2O3 and molecular weight 172.08 g/mol. IUPAC: (1-nitrosopiperidin-2-yl) acetate.
Chemical Property Profile of alpha-Acetoxy-N-nitrosopiperidine
Property Insights of alpha-Acetoxy-N-nitrosopiperidine
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Acetoxy-N-nitrosopiperidine. With a topological polar surface area (TPSA) of 59.0 Ų, alpha-Acetoxy-N-nitrosopiperidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Acetoxy-N-nitrosopiperidine has 0 hydrogen bond donor(s) and 5 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 alpha-Acetoxy-N-nitrosopiperidine?
The CAS number of alpha-Acetoxy-N-nitrosopiperidine is 53198-44-0.
What is the molecular formula of alpha-Acetoxy-N-nitrosopiperidine?
The molecular formula of alpha-Acetoxy-N-nitrosopiperidine is C7H12N2O3.
What is the molecular weight of alpha-Acetoxy-N-nitrosopiperidine?
The molecular weight of alpha-Acetoxy-N-nitrosopiperidine is 172.08 g/mol.
Where can I buy alpha-Acetoxy-N-nitrosopiperidine?
You can request a quote for alpha-Acetoxy-N-nitrosopiperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Acetoxy-N-nitrosopiperidine?
Yes, KEHONG BIO provides custom synthesis services for alpha-Acetoxy-N-nitrosopiperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.