3-(4-Formylpiperazin-1-yl)-3-oxopropanenitrile
TL;DR: 3-(4-Formylpiperazin-1-yl)-3-oxopropanenitrile (CAS 733030-87-0) is a chemical compound with molecular formula C8H11N3O2 and molecular weight 181.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-formylpiperazin-1-yl)-3-oxopropanenitrile
Also Known As: 3-(4-formylpiperazin-1-yl)-3-oxopropanenitrile
| Molecular Formula | C8H11N3O2 |
|---|---|
| Molecular Weight | 181.09 g/mol |
| LogP | -0.79932 |
| Topological Polar Surface Area | 64.41 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.08513 |
| Heavy Atoms | 13 |
| Complexity | 238.26392 |
Chemical Identifiers
| CAS Number | 733030-87-0 |
|---|---|
| SMILES | C1CN(CCN1C=O)C(=O)CC#N |
Product Overview
3-(4-Formylpiperazin-1-yl)-3-oxopropanenitrile (CAS 733030-87-0), with molecular formula C8H11N3O2 and molecular weight 181.09 g/mol. IUPAC: 3-(4-formylpiperazin-1-yl)-3-oxopropanenitrile.
Chemical Property Profile of 3-(4-Formylpiperazin-1-yl)-3-oxopropanenitrile
Property Insights of 3-(4-Formylpiperazin-1-yl)-3-oxopropanenitrile
The XLogP value of -0.79932 indicates that 3-(4-Formylpiperazin-1-yl)-3-oxopropanenitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Formylpiperazin-1-yl)-3-oxopropanenitrile. Following Lipinski's Rule of Five, 3-(4-Formylpiperazin-1-yl)-3-oxopropanenitrile has 0 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-(4-Formylpiperazin-1-yl)-3-oxopropanenitrile?
The CAS number of 3-(4-Formylpiperazin-1-yl)-3-oxopropanenitrile is 733030-87-0.
What is the molecular formula of 3-(4-Formylpiperazin-1-yl)-3-oxopropanenitrile?
The molecular formula of 3-(4-Formylpiperazin-1-yl)-3-oxopropanenitrile is C8H11N3O2.
What is the molecular weight of 3-(4-Formylpiperazin-1-yl)-3-oxopropanenitrile?
The molecular weight of 3-(4-Formylpiperazin-1-yl)-3-oxopropanenitrile is 181.09 g/mol.
Where can I buy 3-(4-Formylpiperazin-1-yl)-3-oxopropanenitrile?
You can request a quote for 3-(4-Formylpiperazin-1-yl)-3-oxopropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Formylpiperazin-1-yl)-3-oxopropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Formylpiperazin-1-yl)-3-oxopropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.