1H-Pyrrole-3-carbonitrile, 2,5-dimethyl-1-phenyl-
TL;DR: 1H-Pyrrole-3-carbonitrile, 2,5-dimethyl-1-phenyl- (CAS 64288-46-6) is a chemical compound with molecular formula C13H12N2 and molecular weight 196.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dimethyl-1-phenylpyrrole-3-carbonitrile
Also Known As: 2,5-dimethyl-1-phenylpyrrole-3-carbonitrile, 2,5-dimethyl-1-phenyl-1H-pyrrole-3-carbonitrile, 1H-Pyrrole-3-carbonitrile, 2,5-dimethyl-1-phenyl-, 1H-Pyrrole-3-carbonitrile,2,5-dimethyl-1-phenyl
| Molecular Formula | C13H12N2 |
|---|---|
| Molecular Weight | 196.10 g/mol |
| LogP | 2.96582 |
| Topological Polar Surface Area | 28.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.10005 |
| Heavy Atoms | 15 |
| Complexity | 515.4592 |
Chemical Identifiers
| CAS Number | 64288-46-6 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=CC=C2)C)C#N |
Product Overview
1H-Pyrrole-3-carbonitrile, 2,5-dimethyl-1-phenyl- (CAS 64288-46-6), with molecular formula C13H12N2 and molecular weight 196.10 g/mol. IUPAC: 2,5-dimethyl-1-phenylpyrrole-3-carbonitrile.
Chemical Property Profile of 1H-Pyrrole-3-carbonitrile, 2,5-dimethyl-1-phenyl-
Property Insights of 1H-Pyrrole-3-carbonitrile, 2,5-dimethyl-1-phenyl-
The XLogP value of 2.96582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole-3-carbonitrile, 2,5-dimethyl-1-phenyl-. With a topological polar surface area (TPSA) of 28.72 Ų, 1H-Pyrrole-3-carbonitrile, 2,5-dimethyl-1-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrrole-3-carbonitrile, 2,5-dimethyl-1-phenyl- has 0 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 1H-Pyrrole-3-carbonitrile, 2,5-dimethyl-1-phenyl-?
The CAS number of 1H-Pyrrole-3-carbonitrile, 2,5-dimethyl-1-phenyl- is 64288-46-6.
What is the molecular formula of 1H-Pyrrole-3-carbonitrile, 2,5-dimethyl-1-phenyl-?
The molecular formula of 1H-Pyrrole-3-carbonitrile, 2,5-dimethyl-1-phenyl- is C13H12N2.
What is the molecular weight of 1H-Pyrrole-3-carbonitrile, 2,5-dimethyl-1-phenyl-?
The molecular weight of 1H-Pyrrole-3-carbonitrile, 2,5-dimethyl-1-phenyl- is 196.10 g/mol.
Where can I buy 1H-Pyrrole-3-carbonitrile, 2,5-dimethyl-1-phenyl-?
You can request a quote for 1H-Pyrrole-3-carbonitrile, 2,5-dimethyl-1-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrrole-3-carbonitrile, 2,5-dimethyl-1-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole-3-carbonitrile, 2,5-dimethyl-1-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.