2-Pyrrolidinone, 1-hexyl-
TL;DR: 2-Pyrrolidinone, 1-hexyl- (CAS 4838-65-7) is a chemical compound with molecular formula C10H19NO and molecular weight 169.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hexylpyrrolidin-2-one
Also Known As: 1-hexylpyrrolidin-2-one, N-Hexyl-2-pyrrolidinone, 1-Hexyl-2-pyrrolidone, 1-hexyl-pyrrolidin-2-one, n-octyl pyrrolidone
| Molecular Formula | C10H19NO |
|---|---|
| Molecular Weight | 169.15 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 169.14667 |
| Heavy Atoms | 12 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 4838-65-7 |
|---|---|
| SMILES | CCCCCCN1CCCC1=O |
| InChIKey | BAWUFGWWCWMUNU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Pyrrolidinone, 1-hexyl- (CAS 4838-65-7), with molecular formula C10H19NO and molecular weight 169.15 g/mol. IUPAC: 1-hexylpyrrolidin-2-one.
Chemical Property Profile of 2-Pyrrolidinone, 1-hexyl-
Property Insights of 2-Pyrrolidinone, 1-hexyl-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pyrrolidinone, 1-hexyl-. With a topological polar surface area (TPSA) of 20.3 Ų, 2-Pyrrolidinone, 1-hexyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pyrrolidinone, 1-hexyl- 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 2-Pyrrolidinone, 1-hexyl-?
The CAS number of 2-Pyrrolidinone, 1-hexyl- is 4838-65-7.
What is the molecular formula of 2-Pyrrolidinone, 1-hexyl-?
The molecular formula of 2-Pyrrolidinone, 1-hexyl- is C10H19NO.
What is the molecular weight of 2-Pyrrolidinone, 1-hexyl-?
The molecular weight of 2-Pyrrolidinone, 1-hexyl- is 169.15 g/mol.
Where can I buy 2-Pyrrolidinone, 1-hexyl-?
You can request a quote for 2-Pyrrolidinone, 1-hexyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pyrrolidinone, 1-hexyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Pyrrolidinone, 1-hexyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.