1-Nitroso-5-(3-pyridinyl)-2-pyrrolidinol acetate
TL;DR: 1-Nitroso-5-(3-pyridinyl)-2-pyrrolidinol acetate (CAS 68743-65-7) 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-5-pyridin-3-ylpyrrolidin-2-yl) acetate
Also Known As: 5'-Acetoxy-N'-nitrosonornicotine, 1-Nitroso-5-(3-pyridinyl)-2-pyrrolidinol acetate, (Mixture of Diastereomers)"", (+/-)-N'-Nitrosonornicotine 5'-Acetate, (1-nitroso-5-pyridin-3-ylpyrrolidin-2-yl) acetate
| Molecular Formula | C11H13N3O3 |
|---|---|
| Molecular Weight | 235.10 g/mol |
| LogP | 1.2 |
| 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 | 298.0 |
Chemical Identifiers
| CAS Number | 68743-65-7 |
|---|---|
| SMILES | CC(=O)OC1CCC(N1N=O)C2=CN=CC=C2 |
| InChIKey | CPPDSVYFZZCUAX-UHFFFAOYSA-N |
Product Overview
1-Nitroso-5-(3-pyridinyl)-2-pyrrolidinol acetate (CAS 68743-65-7), with molecular formula C11H13N3O3 and molecular weight 235.10 g/mol. IUPAC: (1-nitroso-5-pyridin-3-ylpyrrolidin-2-yl) acetate.
Chemical Property Profile of 1-Nitroso-5-(3-pyridinyl)-2-pyrrolidinol acetate
Property Insights of 1-Nitroso-5-(3-pyridinyl)-2-pyrrolidinol acetate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Nitroso-5-(3-pyridinyl)-2-pyrrolidinol acetate. The TPSA of 71.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Nitroso-5-(3-pyridinyl)-2-pyrrolidinol acetate. Following Lipinski's Rule of Five, 1-Nitroso-5-(3-pyridinyl)-2-pyrrolidinol acetate 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 1-Nitroso-5-(3-pyridinyl)-2-pyrrolidinol acetate?
The CAS number of 1-Nitroso-5-(3-pyridinyl)-2-pyrrolidinol acetate is 68743-65-7.
What is the molecular formula of 1-Nitroso-5-(3-pyridinyl)-2-pyrrolidinol acetate?
The molecular formula of 1-Nitroso-5-(3-pyridinyl)-2-pyrrolidinol acetate is C11H13N3O3.
What is the molecular weight of 1-Nitroso-5-(3-pyridinyl)-2-pyrrolidinol acetate?
The molecular weight of 1-Nitroso-5-(3-pyridinyl)-2-pyrrolidinol acetate is 235.10 g/mol.
Where can I buy 1-Nitroso-5-(3-pyridinyl)-2-pyrrolidinol acetate?
You can request a quote for 1-Nitroso-5-(3-pyridinyl)-2-pyrrolidinol acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Nitroso-5-(3-pyridinyl)-2-pyrrolidinol acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Nitroso-5-(3-pyridinyl)-2-pyrrolidinol acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.