![Pyrrolidin-2-one, 5-[3-heptanon-1-yl]- structure](/static/products/116/116454-69-4.png)
Pyrrolidin-2-one, 5-[3-heptanon-1-yl]-
TL;DR: Pyrrolidin-2-one, 5-[3-heptanon-1-yl]- (CAS 116454-69-4) is a chemical compound with molecular formula C11H19NO2 and molecular weight 197.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-oxoheptyl)pyrrolidin-2-one
Also Known As: 5-(3-oxoheptyl)pyrrolidin-2-one, 5-(3'-oxoheptyl)pyrrolidin-2-one, 5-(3-Oxoheptyl)-2-pyrrolidinone, 5-(3-Oxoheptyl)-2-pyrrolidinone #, Pyrrolidin-2-one, 5-[3-heptanon-1-yl]-
| Molecular Formula | C11H19NO2 |
|---|---|
| Molecular Weight | 197.14 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 197.14159 |
| Heavy Atoms | 14 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 116454-69-4 |
|---|---|
| SMILES | CCCCC(=O)CCC1CCC(=O)N1 |
| InChIKey | OOSOXZCZIVYNCZ-UHFFFAOYSA-N |
Product Overview
Pyrrolidin-2-one, 5-[3-heptanon-1-yl]- (CAS 116454-69-4), with molecular formula C11H19NO2 and molecular weight 197.14 g/mol. IUPAC: 5-(3-oxoheptyl)pyrrolidin-2-one.
Chemical Property Profile of Pyrrolidin-2-one, 5-[3-heptanon-1-yl]-
Property Insights of Pyrrolidin-2-one, 5-[3-heptanon-1-yl]-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrolidin-2-one, 5-[3-heptanon-1-yl]-. With a topological polar surface area (TPSA) of 46.2 Ų, Pyrrolidin-2-one, 5-[3-heptanon-1-yl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolidin-2-one, 5-[3-heptanon-1-yl]- has 1 hydrogen bond donor(s) and 2 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 Pyrrolidin-2-one, 5-[3-heptanon-1-yl]-?
The CAS number of Pyrrolidin-2-one, 5-[3-heptanon-1-yl]- is 116454-69-4.
What is the molecular formula of Pyrrolidin-2-one, 5-[3-heptanon-1-yl]-?
The molecular formula of Pyrrolidin-2-one, 5-[3-heptanon-1-yl]- is C11H19NO2.
What is the molecular weight of Pyrrolidin-2-one, 5-[3-heptanon-1-yl]-?
The molecular weight of Pyrrolidin-2-one, 5-[3-heptanon-1-yl]- is 197.14 g/mol.
Where can I buy Pyrrolidin-2-one, 5-[3-heptanon-1-yl]-?
You can request a quote for Pyrrolidin-2-one, 5-[3-heptanon-1-yl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolidin-2-one, 5-[3-heptanon-1-yl]-?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolidin-2-one, 5-[3-heptanon-1-yl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.