(+-)-Cotinine
TL;DR: (+-)-Cotinine (CAS 15569-85-4) is a chemical compound with molecular formula C10H12N2O and molecular weight 176.09496 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methyl-5-pyridin-3-ylpyrrolidin-2-one
Also Known As: cotinine, (-)-Cotinine, rac Cotinine, rac-Cotinine, Cotinina
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H12N2O |
| Molecular Weight | 176.09496 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 33.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.09496 Da |
| Heavy Atoms | 13 |
| Complexity | 205.0 |
| Melting Point | 41 °C |
| SMILES | CN1C(CCC1=O)C2=CN=CC=C2 |
| InChIKey | UIKROCXWUNQSPJ-UHFFFAOYSA-N |
Product Description
Applications: (+-)-Cotinine is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
(+-)-Cotinine is a pharmaceutical intermediate identified by CAS number 15569-85-4 and the molecular formula C10H12N2O and a molecular weight of 176.09 g/mol. Synonyms include cotinine and (-)-Cotinine.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of (+-)-Cotinine
Property Insights of (+-)-Cotinine
The XLogP value of -0.3 indicates that (+-)-Cotinine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 33.2 Ų, (+-)-Cotinine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (+-)-Cotinine has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (+-)-Cotinine?
The CAS number of (+-)-Cotinine is 15569-85-4.
What is the molecular formula of (+-)-Cotinine?
The molecular formula of (+-)-Cotinine is C10H12N2O.
What is the molecular weight of (+-)-Cotinine?
The molecular weight of (+-)-Cotinine is 176.09496 g/mol.
What are the applications of (+-)-Cotinine?
(+-)-Cotinine is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy (+-)-Cotinine?
You can request a quote for (+-)-Cotinine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (+-)-Cotinine?
Yes, CoreyChem provides custom synthesis services for (+-)-Cotinine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.