3-(4-formyl-3-thien-2-yl-1H-pyrazol-1-yl)propanenitrile
TL;DR: 3-(4-formyl-3-thien-2-yl-1H-pyrazol-1-yl)propanenitrile (CAS 372107-06-7) is a chemical compound with molecular formula C11H9N3OS and molecular weight 231.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-formyl-3-thiophen-2-ylpyrazol-1-yl)propanenitrile
Also Known As: 3-(4-formyl-3-thien-2-yl-1H-pyrazol-1-yl)propanenitrile, 3-[4-formyl-3-(2-thienyl)-1H-pyrazol-1-yl]propanenitrile, 3-(4-Formyl-3-(thiophen-2-yl)-1H-pyrazol-1-yl)propanenitrile, 3-(4-formyl-3-thiophen-2-ylpyrazol-1-yl)propanenitrile, 3-[4-Formyl-3-(thiophen-2-yl)-1H-pyrazol-1-yl]propanenitrile
| Molecular Formula | C11H9N3OS |
|---|---|
| Molecular Weight | 231.05 g/mol |
| LogP | 2.33778 |
| Topological Polar Surface Area | 58.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.04663 |
| Heavy Atoms | 16 |
| Complexity | 521.91724 |
Chemical Identifiers
| CAS Number | 372107-06-7 |
|---|---|
| SMILES | C1=CSC(=C1)C2=NN(C=C2C=O)CCC#N |
Product Overview
3-(4-formyl-3-thien-2-yl-1H-pyrazol-1-yl)propanenitrile (CAS 372107-06-7), with molecular formula C11H9N3OS and molecular weight 231.05 g/mol. IUPAC: 3-(4-formyl-3-thiophen-2-ylpyrazol-1-yl)propanenitrile.
Chemical Property Profile of 3-(4-formyl-3-thien-2-yl-1H-pyrazol-1-yl)propanenitrile
Property Insights of 3-(4-formyl-3-thien-2-yl-1H-pyrazol-1-yl)propanenitrile
The XLogP value of 2.33778 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-formyl-3-thien-2-yl-1H-pyrazol-1-yl)propanenitrile. With a topological polar surface area (TPSA) of 58.68 Ų, 3-(4-formyl-3-thien-2-yl-1H-pyrazol-1-yl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-formyl-3-thien-2-yl-1H-pyrazol-1-yl)propanenitrile has 0 hydrogen bond donor(s) and 4 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-formyl-3-thien-2-yl-1H-pyrazol-1-yl)propanenitrile?
The CAS number of 3-(4-formyl-3-thien-2-yl-1H-pyrazol-1-yl)propanenitrile is 372107-06-7.
What is the molecular formula of 3-(4-formyl-3-thien-2-yl-1H-pyrazol-1-yl)propanenitrile?
The molecular formula of 3-(4-formyl-3-thien-2-yl-1H-pyrazol-1-yl)propanenitrile is C11H9N3OS.
What is the molecular weight of 3-(4-formyl-3-thien-2-yl-1H-pyrazol-1-yl)propanenitrile?
The molecular weight of 3-(4-formyl-3-thien-2-yl-1H-pyrazol-1-yl)propanenitrile is 231.05 g/mol.
Where can I buy 3-(4-formyl-3-thien-2-yl-1H-pyrazol-1-yl)propanenitrile?
You can request a quote for 3-(4-formyl-3-thien-2-yl-1H-pyrazol-1-yl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-formyl-3-thien-2-yl-1H-pyrazol-1-yl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-formyl-3-thien-2-yl-1H-pyrazol-1-yl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.