![1H-Pyrrolo[2,3-b]pyridine-1-propionitrile, 2-phenyl- structure](/static/products/236/23616-60-6.png)
1H-Pyrrolo[2,3-b]pyridine-1-propionitrile, 2-phenyl-
TL;DR: 1H-Pyrrolo[2,3-b]pyridine-1-propionitrile, 2-phenyl- (CAS 23616-60-6) is a chemical compound with molecular formula C16H13N3 and molecular weight 247.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-phenylpyrrolo[2,3-b]pyridin-1-yl)propanenitrile
Also Known As: 1H-Pyrrolo[2,3-b]pyridine-1-propionitrile, 2-phenyl-, 2-Phenyl-1H-pyrrolo[2,3-b]pyridine-1-propiononitrile, 3-(2-phenylpyrrolo[2,3-b]pyridin-1-yl)propanenitrile, 3-(2-Phenyl-1H-pyrrolo[2,3-b]pyridin-1-yl)propanenitrile, 3-{2-phenyl-1H-pyrrolo[2,3-b]pyridin-1-yl}propanenitrile
| Molecular Formula | C16H13N3 |
|---|---|
| Molecular Weight | 247.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.11095 |
| Heavy Atoms | 19 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 23616-60-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC3=C(N2CCC#N)N=CC=C3 |
| InChIKey | ORZPHANFHHGPNE-UHFFFAOYSA-N |
Product Overview
1H-Pyrrolo[2,3-b]pyridine-1-propionitrile, 2-phenyl- (CAS 23616-60-6), with molecular formula C16H13N3 and molecular weight 247.11 g/mol. IUPAC: 3-(2-phenylpyrrolo[2,3-b]pyridin-1-yl)propanenitrile.
Chemical Property Profile of 1H-Pyrrolo[2,3-b]pyridine-1-propionitrile, 2-phenyl-
Property Insights of 1H-Pyrrolo[2,3-b]pyridine-1-propionitrile, 2-phenyl-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrolo[2,3-b]pyridine-1-propionitrile, 2-phenyl-. With a topological polar surface area (TPSA) of 41.6 Ų, 1H-Pyrrolo[2,3-b]pyridine-1-propionitrile, 2-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrrolo[2,3-b]pyridine-1-propionitrile, 2-phenyl- 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-Pyrrolo[2,3-b]pyridine-1-propionitrile, 2-phenyl-?
The CAS number of 1H-Pyrrolo[2,3-b]pyridine-1-propionitrile, 2-phenyl- is 23616-60-6.
What is the molecular formula of 1H-Pyrrolo[2,3-b]pyridine-1-propionitrile, 2-phenyl-?
The molecular formula of 1H-Pyrrolo[2,3-b]pyridine-1-propionitrile, 2-phenyl- is C16H13N3.
What is the molecular weight of 1H-Pyrrolo[2,3-b]pyridine-1-propionitrile, 2-phenyl-?
The molecular weight of 1H-Pyrrolo[2,3-b]pyridine-1-propionitrile, 2-phenyl- is 247.11 g/mol.
Where can I buy 1H-Pyrrolo[2,3-b]pyridine-1-propionitrile, 2-phenyl-?
You can request a quote for 1H-Pyrrolo[2,3-b]pyridine-1-propionitrile, 2-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrrolo[2,3-b]pyridine-1-propionitrile, 2-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrolo[2,3-b]pyridine-1-propionitrile, 2-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.