2-Benzoyl-5,5-dimethyl-1-oxo-4,5-dihydro-3H-1lambda~5~-pyrrol-3-one
TL;DR: 2-Benzoyl-5,5-dimethyl-1-oxo-4,5-dihydro-3H-1lambda~5~-pyrrol-3-one (CAS 64388-49-4) is a chemical compound with molecular formula C13H13NO3 and molecular weight 231.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzoyl-2,2-dimethyl-1-oxido-3H-pyrrol-1-ium-4-one
Also Known As: 2-Benzoyl-5,5-dimethyl-1-oxo-4,5-dihydro-3H-1lambda~5~-pyrrol-3-one, 5-benzoyl-2,2-dimethyl-1-oxido-3H-pyrrol-1-ium-4-one, RefChem:256463
| Molecular Formula | C13H13NO3 |
|---|---|
| Molecular Weight | 231.09 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.08954 |
| Heavy Atoms | 17 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 64388-49-4 |
|---|---|
| SMILES | CC1(CC(=O)C(=[N+]1[O-])C(=O)C2=CC=CC=C2)C |
| InChIKey | FDCAJZHLVBOGNN-UHFFFAOYSA-N |
Product Overview
2-Benzoyl-5,5-dimethyl-1-oxo-4,5-dihydro-3H-1lambda~5~-pyrrol-3-one (CAS 64388-49-4), with molecular formula C13H13NO3 and molecular weight 231.09 g/mol. IUPAC: 5-benzoyl-2,2-dimethyl-1-oxido-3H-pyrrol-1-ium-4-one.
Chemical Property Profile of 2-Benzoyl-5,5-dimethyl-1-oxo-4,5-dihydro-3H-1lambda~5~-pyrrol-3-one
Property Insights of 2-Benzoyl-5,5-dimethyl-1-oxo-4,5-dihydro-3H-1lambda~5~-pyrrol-3-one
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzoyl-5,5-dimethyl-1-oxo-4,5-dihydro-3H-1lambda~5~-pyrrol-3-one. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzoyl-5,5-dimethyl-1-oxo-4,5-dihydro-3H-1lambda~5~-pyrrol-3-one. Following Lipinski's Rule of Five, 2-Benzoyl-5,5-dimethyl-1-oxo-4,5-dihydro-3H-1lambda~5~-pyrrol-3-one 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 2-Benzoyl-5,5-dimethyl-1-oxo-4,5-dihydro-3H-1lambda~5~-pyrrol-3-one?
The CAS number of 2-Benzoyl-5,5-dimethyl-1-oxo-4,5-dihydro-3H-1lambda~5~-pyrrol-3-one is 64388-49-4.
What is the molecular formula of 2-Benzoyl-5,5-dimethyl-1-oxo-4,5-dihydro-3H-1lambda~5~-pyrrol-3-one?
The molecular formula of 2-Benzoyl-5,5-dimethyl-1-oxo-4,5-dihydro-3H-1lambda~5~-pyrrol-3-one is C13H13NO3.
What is the molecular weight of 2-Benzoyl-5,5-dimethyl-1-oxo-4,5-dihydro-3H-1lambda~5~-pyrrol-3-one?
The molecular weight of 2-Benzoyl-5,5-dimethyl-1-oxo-4,5-dihydro-3H-1lambda~5~-pyrrol-3-one is 231.09 g/mol.
Where can I buy 2-Benzoyl-5,5-dimethyl-1-oxo-4,5-dihydro-3H-1lambda~5~-pyrrol-3-one?
You can request a quote for 2-Benzoyl-5,5-dimethyl-1-oxo-4,5-dihydro-3H-1lambda~5~-pyrrol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzoyl-5,5-dimethyl-1-oxo-4,5-dihydro-3H-1lambda~5~-pyrrol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzoyl-5,5-dimethyl-1-oxo-4,5-dihydro-3H-1lambda~5~-pyrrol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.