5-Amino-2-(1H-pyrrol-1-yl)benzonitrile
TL;DR: 5-Amino-2-(1H-pyrrol-1-yl)benzonitrile (CAS 106981-58-2) is a chemical compound with molecular formula C11H9N3 and molecular weight 183.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-2-pyrrol-1-ylbenzonitrile
Also Known As: 5-amino-2-(1H-pyrrol-1-yl)benzonitrile, 5-amino-2-pyrrol-1-ylbenzonitrile, Maybridge3_000121, 2-Acetyl-5-methylthiophene, Benzonitrile,5-amino-2-(1H-pyrrol-1-yl)-
| Molecular Formula | C11H9N3 |
|---|---|
| Molecular Weight | 183.08 g/mol |
| LogP | 1.93118 |
| Topological Polar Surface Area | 54.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 183.07965 |
| Heavy Atoms | 14 |
| Complexity | 477.7289 |
Chemical Identifiers
| CAS Number | 106981-58-2 |
|---|---|
| SMILES | C1=CN(C=C1)C2=C(C=C(C=C2)N)C#N |
Product Overview
5-Amino-2-(1H-pyrrol-1-yl)benzonitrile (CAS 106981-58-2), with molecular formula C11H9N3 and molecular weight 183.08 g/mol. IUPAC: 5-amino-2-pyrrol-1-ylbenzonitrile.
Chemical Property Profile of 5-Amino-2-(1H-pyrrol-1-yl)benzonitrile
Property Insights of 5-Amino-2-(1H-pyrrol-1-yl)benzonitrile
The XLogP value of 1.93118 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-2-(1H-pyrrol-1-yl)benzonitrile. With a topological polar surface area (TPSA) of 54.74 Ų, 5-Amino-2-(1H-pyrrol-1-yl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Amino-2-(1H-pyrrol-1-yl)benzonitrile 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 5-Amino-2-(1H-pyrrol-1-yl)benzonitrile?
The CAS number of 5-Amino-2-(1H-pyrrol-1-yl)benzonitrile is 106981-58-2.
What is the molecular formula of 5-Amino-2-(1H-pyrrol-1-yl)benzonitrile?
The molecular formula of 5-Amino-2-(1H-pyrrol-1-yl)benzonitrile is C11H9N3.
What is the molecular weight of 5-Amino-2-(1H-pyrrol-1-yl)benzonitrile?
The molecular weight of 5-Amino-2-(1H-pyrrol-1-yl)benzonitrile is 183.08 g/mol.
Where can I buy 5-Amino-2-(1H-pyrrol-1-yl)benzonitrile?
You can request a quote for 5-Amino-2-(1H-pyrrol-1-yl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Amino-2-(1H-pyrrol-1-yl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-2-(1H-pyrrol-1-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.