3-(Pyrrolidin-1-ylmethylene)pentane-2,4-dione
TL;DR: 3-(Pyrrolidin-1-ylmethylene)pentane-2,4-dione (CAS 193472-44-5) is a chemical compound with molecular formula C10H15NO2 and molecular weight 181.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(pyrrolidin-1-ylmethylidene)pentane-2,4-dione
Also Known As: 3-(Pyrrolidin-1-ylmethylene)pentane-2,4-dione, 3-(pyrrolidin-1-ylmethylidene)pentane-2,4-dione, 3-(pyrrolidinylmethylene)pentane-2,4-dione, 3-(1-Pyrrolidinylmethylene)pentane-2,4-dione, 3-Pyrrolidin-1-ylmethylene-pentane-2,4-dione
| Molecular Formula | C10H15NO2 |
|---|---|
| Molecular Weight | 181.11 g/mol |
| LogP | 1.1441 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 181.11028 |
| Heavy Atoms | 13 |
| Complexity | 233.65036 |
Chemical Identifiers
| CAS Number | 193472-44-5 |
|---|---|
| SMILES | CC(=O)C(=CN1CCCC1)C(=O)C |
Product Overview
3-(Pyrrolidin-1-ylmethylene)pentane-2,4-dione (CAS 193472-44-5), with molecular formula C10H15NO2 and molecular weight 181.11 g/mol. IUPAC: 3-(pyrrolidin-1-ylmethylidene)pentane-2,4-dione.
Chemical Property Profile of 3-(Pyrrolidin-1-ylmethylene)pentane-2,4-dione
Property Insights of 3-(Pyrrolidin-1-ylmethylene)pentane-2,4-dione
The XLogP value of 1.1441 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Pyrrolidin-1-ylmethylene)pentane-2,4-dione. With a topological polar surface area (TPSA) of 37.38 Ų, 3-(Pyrrolidin-1-ylmethylene)pentane-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Pyrrolidin-1-ylmethylene)pentane-2,4-dione has 0 hydrogen bond donor(s) and 3 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 3-(Pyrrolidin-1-ylmethylene)pentane-2,4-dione?
The CAS number of 3-(Pyrrolidin-1-ylmethylene)pentane-2,4-dione is 193472-44-5.
What is the molecular formula of 3-(Pyrrolidin-1-ylmethylene)pentane-2,4-dione?
The molecular formula of 3-(Pyrrolidin-1-ylmethylene)pentane-2,4-dione is C10H15NO2.
What is the molecular weight of 3-(Pyrrolidin-1-ylmethylene)pentane-2,4-dione?
The molecular weight of 3-(Pyrrolidin-1-ylmethylene)pentane-2,4-dione is 181.11 g/mol.
Where can I buy 3-(Pyrrolidin-1-ylmethylene)pentane-2,4-dione?
You can request a quote for 3-(Pyrrolidin-1-ylmethylene)pentane-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Pyrrolidin-1-ylmethylene)pentane-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(Pyrrolidin-1-ylmethylene)pentane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.