2-((4-(2-Chloroacetyl)piperazin-1-yl)sulfonyl)benzonitrile
TL;DR: 2-((4-(2-Chloroacetyl)piperazin-1-yl)sulfonyl)benzonitrile (CAS 877964-74-4) is a chemical compound with molecular formula C13H14ClN3O3S and molecular weight 327.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2-chloroacetyl)piperazin-1-yl]sulfonylbenzonitrile
Also Known As: 2-{[4-(2-chloroacetyl)piperazin-1-yl]sulfonyl}benzonitrile, UPCMLD0ENAT5522524:001, 2-{[4-(chloroacetyl)piperazin-1-yl]sulfonyl}benzonitrile, 2-[4-(2-chloroacetyl)piperazin-1-yl]sulfonylbenzonitrile, 2-[4-(2-chloroacetyl)piperazine-1-sulfonyl]benzonitrile
| Molecular Formula | C13H14ClN3O3S |
|---|---|
| Molecular Weight | 327.04 g/mol |
| LogP | 0.62998 |
| Topological Polar Surface Area | 81.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.04443 |
| Heavy Atoms | 21 |
| Complexity | 676.14703 |
Chemical Identifiers
| CAS Number | 877964-74-4 |
|---|---|
| SMILES | C1CN(CCN1C(=O)CCl)S(=O)(=O)C2=CC=CC=C2C#N |
Product Overview
2-((4-(2-Chloroacetyl)piperazin-1-yl)sulfonyl)benzonitrile (CAS 877964-74-4), with molecular formula C13H14ClN3O3S and molecular weight 327.04 g/mol. IUPAC: 2-[4-(2-chloroacetyl)piperazin-1-yl]sulfonylbenzonitrile.
Chemical Property Profile of 2-((4-(2-Chloroacetyl)piperazin-1-yl)sulfonyl)benzonitrile
Property Insights of 2-((4-(2-Chloroacetyl)piperazin-1-yl)sulfonyl)benzonitrile
The XLogP value of 0.62998 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-(2-Chloroacetyl)piperazin-1-yl)sulfonyl)benzonitrile. The TPSA of 81.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-(2-Chloroacetyl)piperazin-1-yl)sulfonyl)benzonitrile. Following Lipinski's Rule of Five, 2-((4-(2-Chloroacetyl)piperazin-1-yl)sulfonyl)benzonitrile 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 2-((4-(2-Chloroacetyl)piperazin-1-yl)sulfonyl)benzonitrile?
The CAS number of 2-((4-(2-Chloroacetyl)piperazin-1-yl)sulfonyl)benzonitrile is 877964-74-4.
What is the molecular formula of 2-((4-(2-Chloroacetyl)piperazin-1-yl)sulfonyl)benzonitrile?
The molecular formula of 2-((4-(2-Chloroacetyl)piperazin-1-yl)sulfonyl)benzonitrile is C13H14ClN3O3S.
What is the molecular weight of 2-((4-(2-Chloroacetyl)piperazin-1-yl)sulfonyl)benzonitrile?
The molecular weight of 2-((4-(2-Chloroacetyl)piperazin-1-yl)sulfonyl)benzonitrile is 327.04 g/mol.
Where can I buy 2-((4-(2-Chloroacetyl)piperazin-1-yl)sulfonyl)benzonitrile?
You can request a quote for 2-((4-(2-Chloroacetyl)piperazin-1-yl)sulfonyl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-(2-Chloroacetyl)piperazin-1-yl)sulfonyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-(2-Chloroacetyl)piperazin-1-yl)sulfonyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.