5,5-Dimethyl-2-phenyl-1-pyrrolin-3-one
TL;DR: 5,5-Dimethyl-2-phenyl-1-pyrrolin-3-one (CAS 62020-98-8) is a chemical compound with molecular formula C12H13NO and molecular weight 187.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-5-phenyl-3H-pyrrol-4-one
Also Known As: 5,5-Dimethyl-2-phenyl-1-pyrrolin-3-one, 2,2-dimethyl-5-phenyl-3H-pyrrol-4-one, 3H-Pyrrol-3-one, 4,5-dihydro-5,5-dimethyl-2-phenyl-, 5,5-dimethyl-2-phenyl-4,5-dihydro-pyrrol-3-one, 5,5-Dimethyl-2-phenyl-4,5-dihydro-3H-pyrrol-3-one
| Molecular Formula | C12H13NO |
|---|---|
| Molecular Weight | 187.10 g/mol |
| LogP | 2.2271 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.09972 |
| Heavy Atoms | 14 |
| Complexity | 390.04257 |
Chemical Identifiers
| CAS Number | 62020-98-8 |
|---|---|
| SMILES | CC1(CC(=O)C(=N1)C2=CC=CC=C2)C |
Product Overview
5,5-Dimethyl-2-phenyl-1-pyrrolin-3-one (CAS 62020-98-8), with molecular formula C12H13NO and molecular weight 187.10 g/mol. IUPAC: 2,2-dimethyl-5-phenyl-3H-pyrrol-4-one.
Chemical Property Profile of 5,5-Dimethyl-2-phenyl-1-pyrrolin-3-one
Property Insights of 5,5-Dimethyl-2-phenyl-1-pyrrolin-3-one
The XLogP value of 2.2271 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5-Dimethyl-2-phenyl-1-pyrrolin-3-one. With a topological polar surface area (TPSA) of 29.43 Ų, 5,5-Dimethyl-2-phenyl-1-pyrrolin-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,5-Dimethyl-2-phenyl-1-pyrrolin-3-one 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 5,5-Dimethyl-2-phenyl-1-pyrrolin-3-one?
The CAS number of 5,5-Dimethyl-2-phenyl-1-pyrrolin-3-one is 62020-98-8.
What is the molecular formula of 5,5-Dimethyl-2-phenyl-1-pyrrolin-3-one?
The molecular formula of 5,5-Dimethyl-2-phenyl-1-pyrrolin-3-one is C12H13NO.
What is the molecular weight of 5,5-Dimethyl-2-phenyl-1-pyrrolin-3-one?
The molecular weight of 5,5-Dimethyl-2-phenyl-1-pyrrolin-3-one is 187.10 g/mol.
Where can I buy 5,5-Dimethyl-2-phenyl-1-pyrrolin-3-one?
You can request a quote for 5,5-Dimethyl-2-phenyl-1-pyrrolin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5-Dimethyl-2-phenyl-1-pyrrolin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Dimethyl-2-phenyl-1-pyrrolin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.