N-Octylpyrrolidone
TL;DR: N-Octylpyrrolidone (CAS 2687-94-7) is a chemical compound with molecular formula C12H23NO and molecular weight 197.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-octylpyrrolidin-2-one
Also Known As: 1-octylpyrrolidin-2-one, 1-Octyl-2-pyrrolidone, N-Octylpyrrolidone, N-Octyl-2-pyrrolidone, n-octyl pyrrolidone
| Molecular Formula | C12H23NO |
|---|---|
| Molecular Weight | 197.18 g/mol |
| LogP | 2.9693 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 197.17796 |
| Heavy Atoms | 14 |
| Complexity | 167.70467 |
Chemical Identifiers
| CAS Number | 2687-94-7 |
|---|---|
| SMILES | CCCCCCCCN1CCCC1=O |
Product Overview
N-Octylpyrrolidone (CAS 2687-94-7), with molecular formula C12H23NO and molecular weight 197.18 g/mol. IUPAC: 1-octylpyrrolidin-2-one.
Chemical Property Profile of N-Octylpyrrolidone
Property Insights of N-Octylpyrrolidone
The XLogP value of 2.9693 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Octylpyrrolidone. With a topological polar surface area (TPSA) of 20.31 Ų, N-Octylpyrrolidone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Octylpyrrolidone 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 N-Octylpyrrolidone?
The CAS number of N-Octylpyrrolidone is 2687-94-7.
What is the molecular formula of N-Octylpyrrolidone?
The molecular formula of N-Octylpyrrolidone is C12H23NO.
What is the molecular weight of N-Octylpyrrolidone?
The molecular weight of N-Octylpyrrolidone is 197.18 g/mol.
Where can I buy N-Octylpyrrolidone?
You can request a quote for N-Octylpyrrolidone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Octylpyrrolidone?
Yes, KEHONG BIO provides custom synthesis services for N-Octylpyrrolidone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.