5(4H)-Oxazolone, 2-phenyl-4-(2-pyrrolidinylidene)-
TL;DR: 5(4H)-Oxazolone, 2-phenyl-4-(2-pyrrolidinylidene)- (CAS 40051-96-5) is a chemical compound with molecular formula C13H12N2O2 and molecular weight 228.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-dihydro-2H-pyrrol-5-yl)-2-phenyl-1,3-oxazol-5-ol
Also Known As: 2-phenyl-4-pyrrolidin-2-ylidene-1,3-oxazol-5-one, 5(4H)-Oxazolone, 2-phenyl-4-(2-pyrrolidinylidene)-, 2-Phenyl-4-(pyrrolidin-2-ylidene)oxazol-5(4H)-one, 2-phenyl-4-pyrrolidin-2-ylidene-4H-oxazol-5-one, (4E)-2-phenyl-4-pyrrolidin-2-ylidene-1,3-oxazol-5-one
| Molecular Formula | C13H12N2O2 |
|---|---|
| Molecular Weight | 228.09 g/mol |
| LogP | 2.6301 |
| Topological Polar Surface Area | 58.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.08987 |
| Heavy Atoms | 17 |
| Complexity | 558.05334 |
Chemical Identifiers
| CAS Number | 40051-96-5 |
|---|---|
| SMILES | C1CC(=NC1)C2=C(OC(=N2)C3=CC=CC=C3)O |
Product Overview
5(4H)-Oxazolone, 2-phenyl-4-(2-pyrrolidinylidene)- (CAS 40051-96-5), with molecular formula C13H12N2O2 and molecular weight 228.09 g/mol. IUPAC: 4-(3,4-dihydro-2H-pyrrol-5-yl)-2-phenyl-1,3-oxazol-5-ol.
Chemical Property Profile of 5(4H)-Oxazolone, 2-phenyl-4-(2-pyrrolidinylidene)-
Property Insights of 5(4H)-Oxazolone, 2-phenyl-4-(2-pyrrolidinylidene)-
The XLogP value of 2.6301 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5(4H)-Oxazolone, 2-phenyl-4-(2-pyrrolidinylidene)-. With a topological polar surface area (TPSA) of 58.62 Ų, 5(4H)-Oxazolone, 2-phenyl-4-(2-pyrrolidinylidene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5(4H)-Oxazolone, 2-phenyl-4-(2-pyrrolidinylidene)- has 1 hydrogen bond donor(s) and 4 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(4H)-Oxazolone, 2-phenyl-4-(2-pyrrolidinylidene)-?
The CAS number of 5(4H)-Oxazolone, 2-phenyl-4-(2-pyrrolidinylidene)- is 40051-96-5.
What is the molecular formula of 5(4H)-Oxazolone, 2-phenyl-4-(2-pyrrolidinylidene)-?
The molecular formula of 5(4H)-Oxazolone, 2-phenyl-4-(2-pyrrolidinylidene)- is C13H12N2O2.
What is the molecular weight of 5(4H)-Oxazolone, 2-phenyl-4-(2-pyrrolidinylidene)-?
The molecular weight of 5(4H)-Oxazolone, 2-phenyl-4-(2-pyrrolidinylidene)- is 228.09 g/mol.
Where can I buy 5(4H)-Oxazolone, 2-phenyl-4-(2-pyrrolidinylidene)-?
You can request a quote for 5(4H)-Oxazolone, 2-phenyl-4-(2-pyrrolidinylidene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5(4H)-Oxazolone, 2-phenyl-4-(2-pyrrolidinylidene)-?
Yes, KEHONG BIO provides custom synthesis services for 5(4H)-Oxazolone, 2-phenyl-4-(2-pyrrolidinylidene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.