1-(1,3-Dioxobutyl)pyrrolidine
TL;DR: 1-(1,3-Dioxobutyl)pyrrolidine (CAS 41153-96-2) is a chemical compound with molecular formula C8H13NO2 and molecular weight 155.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-pyrrolidin-1-ylbutane-1,3-dione
Also Known As: 1-(1,3-Dioxobutyl)pyrrolidine, 1- PYRROLIDINE, 1-(pyrrolidin-1-yl)butane-1,3-dione, 1-(3-oxobutyryl)pyrrolidine, 1-pyrrolidinylbutane-1,3-dione
| Molecular Formula | C8H13NO2 |
|---|---|
| Molecular Weight | 155.09 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 155.09464 |
| Heavy Atoms | 11 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 41153-96-2 |
|---|---|
| SMILES | CC(=O)CC(=O)N1CCCC1 |
| InChIKey | GOHRQEHMWBECSS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(1,3-Dioxobutyl)pyrrolidine (CAS 41153-96-2), with molecular formula C8H13NO2 and molecular weight 155.09 g/mol. IUPAC: 1-pyrrolidin-1-ylbutane-1,3-dione.
Chemical Property Profile of 1-(1,3-Dioxobutyl)pyrrolidine
Property Insights of 1-(1,3-Dioxobutyl)pyrrolidine
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-Dioxobutyl)pyrrolidine. With a topological polar surface area (TPSA) of 37.4 Ų, 1-(1,3-Dioxobutyl)pyrrolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-Dioxobutyl)pyrrolidine has 0 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 1-(1,3-Dioxobutyl)pyrrolidine?
The CAS number of 1-(1,3-Dioxobutyl)pyrrolidine is 41153-96-2.
What is the molecular formula of 1-(1,3-Dioxobutyl)pyrrolidine?
The molecular formula of 1-(1,3-Dioxobutyl)pyrrolidine is C8H13NO2.
What is the molecular weight of 1-(1,3-Dioxobutyl)pyrrolidine?
The molecular weight of 1-(1,3-Dioxobutyl)pyrrolidine is 155.09 g/mol.
Where can I buy 1-(1,3-Dioxobutyl)pyrrolidine?
You can request a quote for 1-(1,3-Dioxobutyl)pyrrolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-Dioxobutyl)pyrrolidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Dioxobutyl)pyrrolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.