2-Acetoxy-1-nitroso-2-pyridin-3-yl-pyrrolidine
TL;DR: 2-Acetoxy-1-nitroso-2-pyridin-3-yl-pyrrolidine (CAS 68745-29-9) is a chemical compound with molecular formula C11H13N3O3 and molecular weight 235.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-nitroso-2-pyridin-3-ylpyrrolidin-2-yl) acetate
Also Known As: 2'-Acetoxy-N'-nitrosonornicotine, 2-acetoxy-1-nitroso-2-pyridin-3-yl-pyrrolidine, (1-nitroso-2-pyridin-3-ylpyrrolidin-2-yl) acetate, 1-Nitroso-2-(3-pyridinyl)-2-pyrrolidinol acetate (ester), 2-Pyrrolidinol, 1-nitroso-2-(3-pyridinyl)-, acetate (ester)
| Molecular Formula | C11H13N3O3 |
|---|---|
| Molecular Weight | 235.10 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 71.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.09569 |
| Heavy Atoms | 17 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 68745-29-9 |
|---|---|
| SMILES | CC(=O)OC1(CCCN1N=O)C2=CN=CC=C2 |
| InChIKey | OLAOIPARZCCLIM-UHFFFAOYSA-N |
Product Overview
2-Acetoxy-1-nitroso-2-pyridin-3-yl-pyrrolidine (CAS 68745-29-9), with molecular formula C11H13N3O3 and molecular weight 235.10 g/mol. IUPAC: (1-nitroso-2-pyridin-3-ylpyrrolidin-2-yl) acetate.
Chemical Property Profile of 2-Acetoxy-1-nitroso-2-pyridin-3-yl-pyrrolidine
Property Insights of 2-Acetoxy-1-nitroso-2-pyridin-3-yl-pyrrolidine
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetoxy-1-nitroso-2-pyridin-3-yl-pyrrolidine. The TPSA of 71.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Acetoxy-1-nitroso-2-pyridin-3-yl-pyrrolidine. Following Lipinski's Rule of Five, 2-Acetoxy-1-nitroso-2-pyridin-3-yl-pyrrolidine has 0 hydrogen bond donor(s) and 6 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 2-Acetoxy-1-nitroso-2-pyridin-3-yl-pyrrolidine?
The CAS number of 2-Acetoxy-1-nitroso-2-pyridin-3-yl-pyrrolidine is 68745-29-9.
What is the molecular formula of 2-Acetoxy-1-nitroso-2-pyridin-3-yl-pyrrolidine?
The molecular formula of 2-Acetoxy-1-nitroso-2-pyridin-3-yl-pyrrolidine is C11H13N3O3.
What is the molecular weight of 2-Acetoxy-1-nitroso-2-pyridin-3-yl-pyrrolidine?
The molecular weight of 2-Acetoxy-1-nitroso-2-pyridin-3-yl-pyrrolidine is 235.10 g/mol.
Where can I buy 2-Acetoxy-1-nitroso-2-pyridin-3-yl-pyrrolidine?
You can request a quote for 2-Acetoxy-1-nitroso-2-pyridin-3-yl-pyrrolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetoxy-1-nitroso-2-pyridin-3-yl-pyrrolidine?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetoxy-1-nitroso-2-pyridin-3-yl-pyrrolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.