1-甲基-3-(1-甲基-5-氧代-2-吡咯烷基)吡啶鎓
TL;DR: 1-甲基-3-(1-甲基-5-氧代-2-吡咯烷基)吡啶鎓 (CAS 89932-52-5) is a chemical compound with molecular formula C11H15N2O+ and molecular weight 191.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-甲基-3-(1-甲基-5-氧代-2-吡咯烷基)吡啶鎓
1-methyl-5-(1-methylpyridin-1-ium-3-yl)pyrrolidin-2-one
Also Known As: cotinine methonium ion, N-methylcotininium ion, 1-methyl-5-pyrrolidin-2-one, 1-methyl-5-(1-methylpyridin-1-ium-3-yl)pyrrolidin-2-one, 1-Methyl-3-(1-methyl-5-oxo-2-pyrrolidinyl)pyridinium
| Molecular Formula | C11H15N2O+ |
|---|---|
| Molecular Weight | 191.12 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 24.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.11844 |
| Heavy Atoms | 14 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 89932-52-5 |
|---|---|
| SMILES | CN1C(CCC1=O)C2=C[N+](=CC=C2)C |
| InChIKey | VHRXFWHPQMABEK-UHFFFAOYSA-N |
Product Overview
1-甲基-3-(1-甲基-5-氧代-2-吡咯烷基)吡啶鎓 (CAS 89932-52-5), with molecular formula C11H15N2O+ and molecular weight 191.12 g/mol. IUPAC: 1-methyl-5-(1-methylpyridin-1-ium-3-yl)pyrrolidin-2-one.
Chemical Property Profile of 1-甲基-3-(1-甲基-5-氧代-2-吡咯烷基)吡啶鎓
Property Insights of 1-甲基-3-(1-甲基-5-氧代-2-吡咯烷基)吡啶鎓
The XLogP value of -0.2 indicates that 1-甲基-3-(1-甲基-5-氧代-2-吡咯烷基)吡啶鎓 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 24.2 Ų, 1-甲基-3-(1-甲基-5-氧代-2-吡咯烷基)吡啶鎓 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-甲基-3-(1-甲基-5-氧代-2-吡咯烷基)吡啶鎓 has 0 hydrogen bond donor(s) and 1 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-甲基-3-(1-甲基-5-氧代-2-吡咯烷基)吡啶鎓?
The CAS number of 1-甲基-3-(1-甲基-5-氧代-2-吡咯烷基)吡啶鎓 is 89932-52-5.
What is the molecular formula of 1-甲基-3-(1-甲基-5-氧代-2-吡咯烷基)吡啶鎓?
The molecular formula of 1-甲基-3-(1-甲基-5-氧代-2-吡咯烷基)吡啶鎓 is C11H15N2O+.
What is the molecular weight of 1-甲基-3-(1-甲基-5-氧代-2-吡咯烷基)吡啶鎓?
The molecular weight of 1-甲基-3-(1-甲基-5-氧代-2-吡咯烷基)吡啶鎓 is 191.12 g/mol.
Where can I buy 1-甲基-3-(1-甲基-5-氧代-2-吡咯烷基)吡啶鎓?
You can request a quote for 1-甲基-3-(1-甲基-5-氧代-2-吡咯烷基)吡啶鎓 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-甲基-3-(1-甲基-5-氧代-2-吡咯烷基)吡啶鎓?
Yes, KEHONG BIO provides custom synthesis services for 1-甲基-3-(1-甲基-5-氧代-2-吡咯烷基)吡啶鎓 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.