1,3-Dimethyl-3-naphthalen-1-ylpyrrolidin-2-one
TL;DR: 1,3-Dimethyl-3-naphthalen-1-ylpyrrolidin-2-one (CAS 123074-44-2) is a chemical compound with molecular formula C16H17NO and molecular weight 239.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-3-naphthalen-1-ylpyrrolidin-2-one
Also Known As: 1,3-Dimethyl-3-naphthalen-1-ylpyrrolidin-2-one, Pyrrolidin-2-one, 1,3-dimethyl-3-naphthalen-1-yl-, 1,3-Dimethyl-3-(1-naphthalenyl)pyrrolidin-2-one, 1,3-dimethyl-3-naphthalen-1-yl-pyrrolidin-2-one, 1,3-DIMETHYL-3-(NAPHTHALEN-1-YL)PYRROLIDIN-2-ONE
| Molecular Formula | C16H17NO |
|---|---|
| Molecular Weight | 239.13 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 239.13101 |
| Heavy Atoms | 18 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 123074-44-2 |
|---|---|
| SMILES | CC1(CCN(C1=O)C)C2=CC=CC3=CC=CC=C32 |
| InChIKey | HPNDGVMYBLUXFD-UHFFFAOYSA-N |
Product Overview
1,3-Dimethyl-3-naphthalen-1-ylpyrrolidin-2-one (CAS 123074-44-2), with molecular formula C16H17NO and molecular weight 239.13 g/mol. IUPAC: 1,3-dimethyl-3-naphthalen-1-ylpyrrolidin-2-one.
Chemical Property Profile of 1,3-Dimethyl-3-naphthalen-1-ylpyrrolidin-2-one
Property Insights of 1,3-Dimethyl-3-naphthalen-1-ylpyrrolidin-2-one
The XLogP value of 3.1 indicates that 1,3-Dimethyl-3-naphthalen-1-ylpyrrolidin-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, 1,3-Dimethyl-3-naphthalen-1-ylpyrrolidin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dimethyl-3-naphthalen-1-ylpyrrolidin-2-one 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 1,3-Dimethyl-3-naphthalen-1-ylpyrrolidin-2-one?
The CAS number of 1,3-Dimethyl-3-naphthalen-1-ylpyrrolidin-2-one is 123074-44-2.
What is the molecular formula of 1,3-Dimethyl-3-naphthalen-1-ylpyrrolidin-2-one?
The molecular formula of 1,3-Dimethyl-3-naphthalen-1-ylpyrrolidin-2-one is C16H17NO.
What is the molecular weight of 1,3-Dimethyl-3-naphthalen-1-ylpyrrolidin-2-one?
The molecular weight of 1,3-Dimethyl-3-naphthalen-1-ylpyrrolidin-2-one is 239.13 g/mol.
Where can I buy 1,3-Dimethyl-3-naphthalen-1-ylpyrrolidin-2-one?
You can request a quote for 1,3-Dimethyl-3-naphthalen-1-ylpyrrolidin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyl-3-naphthalen-1-ylpyrrolidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl-3-naphthalen-1-ylpyrrolidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.