1-(2-Pyrryl)-3-phenylpropen-1-one
TL;DR: 1-(2-Pyrryl)-3-phenylpropen-1-one (CAS 4086-15-1) is a chemical compound with molecular formula C13H11NO and molecular weight 197.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-1-(1H-pyrrol-2-yl)prop-2-en-1-one
Also Known As: 1-(2-pyrryl)-3-phenylpropen-1-one, 3-phenyl-1-(1H-pyrrol-2-yl)prop-2-en-1-one, 2-Propen-1-one, 3-phenyl-1-(1H-pyrrol-2-yl)-, 2-Propen-1-one, 3-phenyl-1-(1H-pyrrol-2-yl)-, (2E)-
| Molecular Formula | C13H11NO |
|---|---|
| Molecular Weight | 197.08 g/mol |
| LogP | 2.9108 |
| Topological Polar Surface Area | 32.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 197.08406 |
| Heavy Atoms | 15 |
| Complexity | 454.54587 |
Chemical Identifiers
| CAS Number | 4086-15-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CC(=O)C2=CC=CN2 |
Product Overview
1-(2-Pyrryl)-3-phenylpropen-1-one (CAS 4086-15-1), with molecular formula C13H11NO and molecular weight 197.08 g/mol. IUPAC: 3-phenyl-1-(1H-pyrrol-2-yl)prop-2-en-1-one.
Chemical Property Profile of 1-(2-Pyrryl)-3-phenylpropen-1-one
Property Insights of 1-(2-Pyrryl)-3-phenylpropen-1-one
The XLogP value of 2.9108 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Pyrryl)-3-phenylpropen-1-one. With a topological polar surface area (TPSA) of 32.86 Ų, 1-(2-Pyrryl)-3-phenylpropen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Pyrryl)-3-phenylpropen-1-one has 1 hydrogen bond donor(s) and 1 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-(2-Pyrryl)-3-phenylpropen-1-one?
The CAS number of 1-(2-Pyrryl)-3-phenylpropen-1-one is 4086-15-1.
What is the molecular formula of 1-(2-Pyrryl)-3-phenylpropen-1-one?
The molecular formula of 1-(2-Pyrryl)-3-phenylpropen-1-one is C13H11NO.
What is the molecular weight of 1-(2-Pyrryl)-3-phenylpropen-1-one?
The molecular weight of 1-(2-Pyrryl)-3-phenylpropen-1-one is 197.08 g/mol.
Where can I buy 1-(2-Pyrryl)-3-phenylpropen-1-one?
You can request a quote for 1-(2-Pyrryl)-3-phenylpropen-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Pyrryl)-3-phenylpropen-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Pyrryl)-3-phenylpropen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.