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5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(oxolan-2-ylmethyl)aniline
TL;DR: 5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(oxolan-2-ylmethyl)aniline (CAS 642430-70-4) is a chemical compound with molecular formula C21H24Cl2N4O5S and molecular weight 514.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(oxolan-2-ylmethyl)aniline
Also Known As: 5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(oxolan-2-ylmethyl)aniline, 5-(4-((3,4-dichlorophenyl)sulfonyl)piperazin-1-yl)-2-nitro-N-((tetrahydrofuran-2-yl)methyl)aniline, 5-{4-[(3,4-dichlorophenyl)sulfonyl]piperazin-1-yl}-2-nitro-N-(tetrahydrofuran-2-ylmethyl)aniline
| Molecular Formula | C21H24Cl2N4O5S |
|---|---|
| Molecular Weight | 514.08 g/mol |
| LogP | 4.0034 |
| Topological Polar Surface Area | 105.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 514.0845 |
| Heavy Atoms | 33 |
| Complexity | 1133.4701 |
Chemical Identifiers
| CAS Number | 642430-70-4 |
|---|---|
| SMILES | C1CC(OC1)CNC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)Cl)Cl)[N+](=O)[O-] |
Product Overview
5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(oxolan-2-ylmethyl)aniline (CAS 642430-70-4), with molecular formula C21H24Cl2N4O5S and molecular weight 514.08 g/mol. IUPAC: 5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(oxolan-2-ylmethyl)aniline.
Chemical Property Profile of 5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(oxolan-2-ylmethyl)aniline
Property Insights of 5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(oxolan-2-ylmethyl)aniline
The XLogP value of 4.0034 indicates that 5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(oxolan-2-ylmethyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(oxolan-2-ylmethyl)aniline. Following Lipinski's Rule of Five, 5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(oxolan-2-ylmethyl)aniline has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(oxolan-2-ylmethyl)aniline?
The CAS number of 5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(oxolan-2-ylmethyl)aniline is 642430-70-4.
What is the molecular formula of 5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(oxolan-2-ylmethyl)aniline?
The molecular formula of 5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(oxolan-2-ylmethyl)aniline is C21H24Cl2N4O5S.
What is the molecular weight of 5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(oxolan-2-ylmethyl)aniline?
The molecular weight of 5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(oxolan-2-ylmethyl)aniline is 514.08 g/mol.
Where can I buy 5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(oxolan-2-ylmethyl)aniline?
You can request a quote for 5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(oxolan-2-ylmethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(oxolan-2-ylmethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(oxolan-2-ylmethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.