1H-Pyrrole-3-propanenitrile, 4-(cyanomethyl)-2-(hydroxymethyl)-
TL;DR: 1H-Pyrrole-3-propanenitrile, 4-(cyanomethyl)-2-(hydroxymethyl)- (CAS 103548-59-0) is a chemical compound with molecular formula C10H11N3O and molecular weight 189.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(cyanomethyl)-2-(hydroxymethyl)-1H-pyrrol-3-yl]propanenitrile
Also Known As: (1R)-1-phenylpropane-1,3-diol, 1H-Pyrrole-3-propanenitrile, 4-(cyanomethyl)-2-(hydroxymethyl)-, 3-[4-(Cyanomethyl)-2-(hydroxymethyl)-1H-pyrrol-3-yl]propanenitrile, 3-[4-(Cyanomethyl)-2-(hydroxymethyl)-1H-pyrrol-3-yl]propanenitrile #, RefChem:240705
| Molecular Formula | C10H11N3O |
|---|---|
| Molecular Weight | 189.09 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 189.09021 |
| Heavy Atoms | 14 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 103548-59-0 |
|---|---|
| SMILES | C1=C(C(=C(N1)CO)CCC#N)CC#N |
| InChIKey | JFNXGQUUHARMNH-UHFFFAOYSA-N |
Product Overview
1H-Pyrrole-3-propanenitrile, 4-(cyanomethyl)-2-(hydroxymethyl)- (CAS 103548-59-0), with molecular formula C10H11N3O and molecular weight 189.09 g/mol. IUPAC: 3-[4-(cyanomethyl)-2-(hydroxymethyl)-1H-pyrrol-3-yl]propanenitrile.
Chemical Property Profile of 1H-Pyrrole-3-propanenitrile, 4-(cyanomethyl)-2-(hydroxymethyl)-
Property Insights of 1H-Pyrrole-3-propanenitrile, 4-(cyanomethyl)-2-(hydroxymethyl)-
The XLogP value of -0.5 indicates that 1H-Pyrrole-3-propanenitrile, 4-(cyanomethyl)-2-(hydroxymethyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrrole-3-propanenitrile, 4-(cyanomethyl)-2-(hydroxymethyl)-. Following Lipinski's Rule of Five, 1H-Pyrrole-3-propanenitrile, 4-(cyanomethyl)-2-(hydroxymethyl)- has 2 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 1H-Pyrrole-3-propanenitrile, 4-(cyanomethyl)-2-(hydroxymethyl)-?
The CAS number of 1H-Pyrrole-3-propanenitrile, 4-(cyanomethyl)-2-(hydroxymethyl)- is 103548-59-0.
What is the molecular formula of 1H-Pyrrole-3-propanenitrile, 4-(cyanomethyl)-2-(hydroxymethyl)-?
The molecular formula of 1H-Pyrrole-3-propanenitrile, 4-(cyanomethyl)-2-(hydroxymethyl)- is C10H11N3O.
What is the molecular weight of 1H-Pyrrole-3-propanenitrile, 4-(cyanomethyl)-2-(hydroxymethyl)-?
The molecular weight of 1H-Pyrrole-3-propanenitrile, 4-(cyanomethyl)-2-(hydroxymethyl)- is 189.09 g/mol.
Where can I buy 1H-Pyrrole-3-propanenitrile, 4-(cyanomethyl)-2-(hydroxymethyl)-?
You can request a quote for 1H-Pyrrole-3-propanenitrile, 4-(cyanomethyl)-2-(hydroxymethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrrole-3-propanenitrile, 4-(cyanomethyl)-2-(hydroxymethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole-3-propanenitrile, 4-(cyanomethyl)-2-(hydroxymethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.