3-(4-Cyanomethyl-1H-pyrrol-3-yl)-propionitrile
TL;DR: 3-(4-Cyanomethyl-1H-pyrrol-3-yl)-propionitrile (CAS 106491-24-1) is a chemical compound with molecular formula C9H9N3 and molecular weight 159.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(cyanomethyl)-1H-pyrrol-3-yl]propanenitrile
Also Known As: desaminomethylporphobilinogendinitrile, 3-(4-Cyanomethyl-1H-pyrrol-3-yl)-propionitrile, 3-[4-(Cyanomethyl)-1H-pyrrol-3-yl]propanenitrile, 4-(Cyanomethyl)-1H-pyrrole-3-propiononitrile, J2.239.513K
| Molecular Formula | C9H9N3 |
|---|---|
| Molecular Weight | 159.08 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 63.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 159.07965 |
| Heavy Atoms | 12 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 106491-24-1 |
|---|---|
| SMILES | C1=C(C(=CN1)CC#N)CCC#N |
| InChIKey | FTUXINXPFTYLDO-UHFFFAOYSA-N |
Product Overview
3-(4-Cyanomethyl-1H-pyrrol-3-yl)-propionitrile (CAS 106491-24-1), with molecular formula C9H9N3 and molecular weight 159.08 g/mol. IUPAC: 3-[4-(cyanomethyl)-1H-pyrrol-3-yl]propanenitrile.
Chemical Property Profile of 3-(4-Cyanomethyl-1H-pyrrol-3-yl)-propionitrile
Property Insights of 3-(4-Cyanomethyl-1H-pyrrol-3-yl)-propionitrile
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Cyanomethyl-1H-pyrrol-3-yl)-propionitrile. The TPSA of 63.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Cyanomethyl-1H-pyrrol-3-yl)-propionitrile. Following Lipinski's Rule of Five, 3-(4-Cyanomethyl-1H-pyrrol-3-yl)-propionitrile 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 3-(4-Cyanomethyl-1H-pyrrol-3-yl)-propionitrile?
The CAS number of 3-(4-Cyanomethyl-1H-pyrrol-3-yl)-propionitrile is 106491-24-1.
What is the molecular formula of 3-(4-Cyanomethyl-1H-pyrrol-3-yl)-propionitrile?
The molecular formula of 3-(4-Cyanomethyl-1H-pyrrol-3-yl)-propionitrile is C9H9N3.
What is the molecular weight of 3-(4-Cyanomethyl-1H-pyrrol-3-yl)-propionitrile?
The molecular weight of 3-(4-Cyanomethyl-1H-pyrrol-3-yl)-propionitrile is 159.08 g/mol.
Where can I buy 3-(4-Cyanomethyl-1H-pyrrol-3-yl)-propionitrile?
You can request a quote for 3-(4-Cyanomethyl-1H-pyrrol-3-yl)-propionitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Cyanomethyl-1H-pyrrol-3-yl)-propionitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Cyanomethyl-1H-pyrrol-3-yl)-propionitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.