1H-Pyrrole, 1-acetyl-2,3-dihydro-5-(3-pyridinyl)-
TL;DR: 1H-Pyrrole, 1-acetyl-2,3-dihydro-5-(3-pyridinyl)- (CAS 54966-15-3) is a chemical compound with molecular formula C11H12N2O and molecular weight 188.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-pyridin-3-yl-2,3-dihydropyrrol-1-yl)ethanone
Also Known As: 1-acetyl-2,3-dihydro-5-1h-pyrrole, 1-Acetyl-2,3-dihydro-5- -1H-pyrrole, 1-Acetyl-2,3-dihydro-5-(3-pyridinyl)-1H-pyrrole, 1-acetyl-5-pyridin-3-yl-2,3-dihydro-pyrrole, 1H-Pyrrole, 1-acetyl-2,3-dihydro-5-(3-pyridinyl)-
| Molecular Formula | C11H12N2O |
|---|---|
| Molecular Weight | 188.09 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 33.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.09496 |
| Heavy Atoms | 14 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 54966-15-3 |
|---|---|
| SMILES | CC(=O)N1CCC=C1C2=CN=CC=C2 |
| InChIKey | GMMBVUFRWVUJBQ-UHFFFAOYSA-N |
Product Overview
1H-Pyrrole, 1-acetyl-2,3-dihydro-5-(3-pyridinyl)- (CAS 54966-15-3), with molecular formula C11H12N2O and molecular weight 188.09 g/mol. IUPAC: 1-(5-pyridin-3-yl-2,3-dihydropyrrol-1-yl)ethanone.
Chemical Property Profile of 1H-Pyrrole, 1-acetyl-2,3-dihydro-5-(3-pyridinyl)-
Property Insights of 1H-Pyrrole, 1-acetyl-2,3-dihydro-5-(3-pyridinyl)-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole, 1-acetyl-2,3-dihydro-5-(3-pyridinyl)-. With a topological polar surface area (TPSA) of 33.2 Ų, 1H-Pyrrole, 1-acetyl-2,3-dihydro-5-(3-pyridinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrrole, 1-acetyl-2,3-dihydro-5-(3-pyridinyl)- 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 1H-Pyrrole, 1-acetyl-2,3-dihydro-5-(3-pyridinyl)-?
The CAS number of 1H-Pyrrole, 1-acetyl-2,3-dihydro-5-(3-pyridinyl)- is 54966-15-3.
What is the molecular formula of 1H-Pyrrole, 1-acetyl-2,3-dihydro-5-(3-pyridinyl)-?
The molecular formula of 1H-Pyrrole, 1-acetyl-2,3-dihydro-5-(3-pyridinyl)- is C11H12N2O.
What is the molecular weight of 1H-Pyrrole, 1-acetyl-2,3-dihydro-5-(3-pyridinyl)-?
The molecular weight of 1H-Pyrrole, 1-acetyl-2,3-dihydro-5-(3-pyridinyl)- is 188.09 g/mol.
Where can I buy 1H-Pyrrole, 1-acetyl-2,3-dihydro-5-(3-pyridinyl)-?
You can request a quote for 1H-Pyrrole, 1-acetyl-2,3-dihydro-5-(3-pyridinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrrole, 1-acetyl-2,3-dihydro-5-(3-pyridinyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole, 1-acetyl-2,3-dihydro-5-(3-pyridinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.