![5-{4-[(3,4-dimethylphenyl)sulfonyl]piperazin-1-yl}-2-nitro-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]aniline structure](/static/products/7257/725705-57-7.webp)
5-{4-[(3,4-dimethylphenyl)sulfonyl]piperazin-1-yl}-2-nitro-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]aniline
TL;DR: 5-{4-[(3,4-dimethylphenyl)sulfonyl]piperazin-1-yl}-2-nitro-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]aniline (CAS 725705-57-7) is a chemical compound with molecular formula C30H40N4O4S and molecular weight 552.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(1-adamantyl)ethyl]-5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline
Also Known As: 5-{4-[(3,4-dimethylphenyl)sulfonyl]piperazin-1-yl}-2-nitro-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]aniline, N-[1-(1-adamantyl)ethyl]-5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-nitro-aniline, N-[1-(1-adamantyl)ethyl]-5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline, N-[5-[4-[(3,4-Dimethylphenyl)sulfonyl]-1-piperazinyl]-2-nitrophenyl]-I+/--methyltricyclo[3.3.1.13,7]decane-1-methanamine
| Molecular Formula | C30H40N4O4S |
|---|---|
| Molecular Weight | 552.28 g/mol |
| LogP | 5.73934 |
| Topological Polar Surface Area | 95.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 552.27704 |
| Heavy Atoms | 39 |
| Complexity | 1348.0421 |
Chemical Identifiers
| CAS Number | 725705-57-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NC(C)C45CC6CC(C4)CC(C6)C5)C |
Product Overview
5-{4-[(3,4-dimethylphenyl)sulfonyl]piperazin-1-yl}-2-nitro-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]aniline (CAS 725705-57-7), with molecular formula C30H40N4O4S and molecular weight 552.28 g/mol. IUPAC: N-[1-(1-adamantyl)ethyl]-5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline.
Chemical Property Profile of 5-{4-[(3,4-dimethylphenyl)sulfonyl]piperazin-1-yl}-2-nitro-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]aniline
Property Insights of 5-{4-[(3,4-dimethylphenyl)sulfonyl]piperazin-1-yl}-2-nitro-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]aniline
The XLogP value of 5.73934 indicates that 5-{4-[(3,4-dimethylphenyl)sulfonyl]piperazin-1-yl}-2-nitro-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-{4-[(3,4-dimethylphenyl)sulfonyl]piperazin-1-yl}-2-nitro-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]aniline. Following Lipinski's Rule of Five, 5-{4-[(3,4-dimethylphenyl)sulfonyl]piperazin-1-yl}-2-nitro-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]aniline has 1 hydrogen bond donor(s) and 6 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-dimethylphenyl)sulfonyl]piperazin-1-yl}-2-nitro-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]aniline?
The CAS number of 5-{4-[(3,4-dimethylphenyl)sulfonyl]piperazin-1-yl}-2-nitro-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]aniline is 725705-57-7.
What is the molecular formula of 5-{4-[(3,4-dimethylphenyl)sulfonyl]piperazin-1-yl}-2-nitro-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]aniline?
The molecular formula of 5-{4-[(3,4-dimethylphenyl)sulfonyl]piperazin-1-yl}-2-nitro-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]aniline is C30H40N4O4S.
What is the molecular weight of 5-{4-[(3,4-dimethylphenyl)sulfonyl]piperazin-1-yl}-2-nitro-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]aniline?
The molecular weight of 5-{4-[(3,4-dimethylphenyl)sulfonyl]piperazin-1-yl}-2-nitro-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]aniline is 552.28 g/mol.
Where can I buy 5-{4-[(3,4-dimethylphenyl)sulfonyl]piperazin-1-yl}-2-nitro-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]aniline?
You can request a quote for 5-{4-[(3,4-dimethylphenyl)sulfonyl]piperazin-1-yl}-2-nitro-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]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-dimethylphenyl)sulfonyl]piperazin-1-yl}-2-nitro-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]aniline?
Yes, KEHONG BIO provides custom synthesis services for 5-{4-[(3,4-dimethylphenyl)sulfonyl]piperazin-1-yl}-2-nitro-N-[1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.