4-(2-phenylacetyl)-1H-pyrrole-2-carbonitrile
TL;DR: 4-(2-phenylacetyl)-1H-pyrrole-2-carbonitrile (CAS 338397-73-2) is a chemical compound with molecular formula C13H10N2O and molecular weight 210.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-phenylacetyl)-1H-pyrrole-2-carbonitrile
Also Known As: 4-(2-phenylacetyl)-1H-pyrrole-2-carbonitrile
| Molecular Formula | C13H10N2O |
|---|---|
| Molecular Weight | 210.08 g/mol |
| LogP | 2.31178 |
| Topological Polar Surface Area | 56.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.07932 |
| Heavy Atoms | 16 |
| Complexity | 534.5603 |
Chemical Identifiers
| CAS Number | 338397-73-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(=O)C2=CNC(=C2)C#N |
Product Overview
4-(2-phenylacetyl)-1H-pyrrole-2-carbonitrile (CAS 338397-73-2), with molecular formula C13H10N2O and molecular weight 210.08 g/mol. IUPAC: 4-(2-phenylacetyl)-1H-pyrrole-2-carbonitrile.
Chemical Property Profile of 4-(2-phenylacetyl)-1H-pyrrole-2-carbonitrile
Property Insights of 4-(2-phenylacetyl)-1H-pyrrole-2-carbonitrile
The XLogP value of 2.31178 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-phenylacetyl)-1H-pyrrole-2-carbonitrile. With a topological polar surface area (TPSA) of 56.65 Ų, 4-(2-phenylacetyl)-1H-pyrrole-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-phenylacetyl)-1H-pyrrole-2-carbonitrile has 1 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 4-(2-phenylacetyl)-1H-pyrrole-2-carbonitrile?
The CAS number of 4-(2-phenylacetyl)-1H-pyrrole-2-carbonitrile is 338397-73-2.
What is the molecular formula of 4-(2-phenylacetyl)-1H-pyrrole-2-carbonitrile?
The molecular formula of 4-(2-phenylacetyl)-1H-pyrrole-2-carbonitrile is C13H10N2O.
What is the molecular weight of 4-(2-phenylacetyl)-1H-pyrrole-2-carbonitrile?
The molecular weight of 4-(2-phenylacetyl)-1H-pyrrole-2-carbonitrile is 210.08 g/mol.
Where can I buy 4-(2-phenylacetyl)-1H-pyrrole-2-carbonitrile?
You can request a quote for 4-(2-phenylacetyl)-1H-pyrrole-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-phenylacetyl)-1H-pyrrole-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-phenylacetyl)-1H-pyrrole-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.