4-((3,4-Dihydro-2H-pyrrol-5-yl)amino)benzonitrile
TL;DR: 4-((3,4-Dihydro-2H-pyrrol-5-yl)amino)benzonitrile (CAS 745027-63-8) is a chemical compound with molecular formula C11H11N3 and molecular weight 185.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-dihydro-2H-pyrrol-5-ylamino)benzonitrile
Also Known As: 4-(3,4-dihydro-2H-pyrrol-5-ylamino)benzonitrile, 4-((3,4-Dihydro-2H-pyrrol-5-yl)amino)benzonitrile
| Molecular Formula | C11H11N3 |
|---|---|
| Molecular Weight | 185.10 g/mol |
| LogP | 2.16248 |
| Topological Polar Surface Area | 48.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 185.09529 |
| Heavy Atoms | 14 |
| Complexity | 383.98883 |
Chemical Identifiers
| CAS Number | 745027-63-8 |
|---|---|
| SMILES | C1CC(=NC1)NC2=CC=C(C=C2)C#N |
Product Overview
4-((3,4-Dihydro-2H-pyrrol-5-yl)amino)benzonitrile (CAS 745027-63-8), with molecular formula C11H11N3 and molecular weight 185.10 g/mol. IUPAC: 4-(3,4-dihydro-2H-pyrrol-5-ylamino)benzonitrile.
Chemical Property Profile of 4-((3,4-Dihydro-2H-pyrrol-5-yl)amino)benzonitrile
Property Insights of 4-((3,4-Dihydro-2H-pyrrol-5-yl)amino)benzonitrile
The XLogP value of 2.16248 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((3,4-Dihydro-2H-pyrrol-5-yl)amino)benzonitrile. With a topological polar surface area (TPSA) of 48.18 Ų, 4-((3,4-Dihydro-2H-pyrrol-5-yl)amino)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((3,4-Dihydro-2H-pyrrol-5-yl)amino)benzonitrile has 1 hydrogen bond donor(s) and 3 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-((3,4-Dihydro-2H-pyrrol-5-yl)amino)benzonitrile?
The CAS number of 4-((3,4-Dihydro-2H-pyrrol-5-yl)amino)benzonitrile is 745027-63-8.
What is the molecular formula of 4-((3,4-Dihydro-2H-pyrrol-5-yl)amino)benzonitrile?
The molecular formula of 4-((3,4-Dihydro-2H-pyrrol-5-yl)amino)benzonitrile is C11H11N3.
What is the molecular weight of 4-((3,4-Dihydro-2H-pyrrol-5-yl)amino)benzonitrile?
The molecular weight of 4-((3,4-Dihydro-2H-pyrrol-5-yl)amino)benzonitrile is 185.10 g/mol.
Where can I buy 4-((3,4-Dihydro-2H-pyrrol-5-yl)amino)benzonitrile?
You can request a quote for 4-((3,4-Dihydro-2H-pyrrol-5-yl)amino)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((3,4-Dihydro-2H-pyrrol-5-yl)amino)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-((3,4-Dihydro-2H-pyrrol-5-yl)amino)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.