3-(Isobutyl(2-oxo-2-(1h-pyrrol-2-yl)ethyl)amino)propanenitrile
TL;DR: 3-(Isobutyl(2-oxo-2-(1h-pyrrol-2-yl)ethyl)amino)propanenitrile (CAS 796060-53-2) is a chemical compound with molecular formula C13H19N3O and molecular weight 233.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-methylpropyl-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]amino]propanenitrile
Also Known As: 3-(Isobutyl(2-oxo-2-(1h-pyrrol-2-yl)ethyl)amino)propanenitrile, 3-[2-methylpropyl-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]amino]propanenitrile
| Molecular Formula | C13H19N3O |
|---|---|
| Molecular Weight | 233.15 g/mol |
| LogP | 2.06908 |
| Topological Polar Surface Area | 59.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 233.15282 |
| Heavy Atoms | 17 |
| Complexity | 375.86887 |
Chemical Identifiers
| CAS Number | 796060-53-2 |
|---|---|
| SMILES | CC(C)CN(CCC#N)CC(=O)C1=CC=CN1 |
Product Overview
3-(Isobutyl(2-oxo-2-(1h-pyrrol-2-yl)ethyl)amino)propanenitrile (CAS 796060-53-2), with molecular formula C13H19N3O and molecular weight 233.15 g/mol. IUPAC: 3-[2-methylpropyl-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]amino]propanenitrile.
Chemical Property Profile of 3-(Isobutyl(2-oxo-2-(1h-pyrrol-2-yl)ethyl)amino)propanenitrile
Property Insights of 3-(Isobutyl(2-oxo-2-(1h-pyrrol-2-yl)ethyl)amino)propanenitrile
The XLogP value of 2.06908 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Isobutyl(2-oxo-2-(1h-pyrrol-2-yl)ethyl)amino)propanenitrile. With a topological polar surface area (TPSA) of 59.89 Ų, 3-(Isobutyl(2-oxo-2-(1h-pyrrol-2-yl)ethyl)amino)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Isobutyl(2-oxo-2-(1h-pyrrol-2-yl)ethyl)amino)propanenitrile 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 3-(Isobutyl(2-oxo-2-(1h-pyrrol-2-yl)ethyl)amino)propanenitrile?
The CAS number of 3-(Isobutyl(2-oxo-2-(1h-pyrrol-2-yl)ethyl)amino)propanenitrile is 796060-53-2.
What is the molecular formula of 3-(Isobutyl(2-oxo-2-(1h-pyrrol-2-yl)ethyl)amino)propanenitrile?
The molecular formula of 3-(Isobutyl(2-oxo-2-(1h-pyrrol-2-yl)ethyl)amino)propanenitrile is C13H19N3O.
What is the molecular weight of 3-(Isobutyl(2-oxo-2-(1h-pyrrol-2-yl)ethyl)amino)propanenitrile?
The molecular weight of 3-(Isobutyl(2-oxo-2-(1h-pyrrol-2-yl)ethyl)amino)propanenitrile is 233.15 g/mol.
Where can I buy 3-(Isobutyl(2-oxo-2-(1h-pyrrol-2-yl)ethyl)amino)propanenitrile?
You can request a quote for 3-(Isobutyl(2-oxo-2-(1h-pyrrol-2-yl)ethyl)amino)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Isobutyl(2-oxo-2-(1h-pyrrol-2-yl)ethyl)amino)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Isobutyl(2-oxo-2-(1h-pyrrol-2-yl)ethyl)amino)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.