5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-(pyridin-3-ylmethyl)aniline
TL;DR: 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-(pyridin-3-ylmethyl)aniline (CAS 445463-95-6) is a chemical compound with molecular formula C17H21N5O4S and molecular weight 391.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-(pyridin-3-ylmethyl)aniline
Also Known As: A2734/0116097, 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-(pyridin-3-ylmethyl)aniline, 5-[4-(methylsulfonyl)-1-piperazinyl]-2-nitro-N-(3-pyridinylmethyl)aniline, 5-[4-(methylsulfonyl)piperazin-1-yl]-2-nitro-N-(pyridin-3-ylmethyl)aniline, 5-(4-METHANESULFONYLPIPERAZIN-1-YL)-2-NITRO-N-[(PYRIDIN-3-YL)METHYL]ANILINE
| Molecular Formula | C17H21N5O4S |
|---|---|
| Molecular Weight | 391.13 g/mol |
| LogP | 1.6835 |
| Topological Polar Surface Area | 108.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 391.13144 |
| Heavy Atoms | 27 |
| Complexity | 912.17596 |
Chemical Identifiers
| CAS Number | 445463-95-6 |
|---|---|
| SMILES | CS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CN=CC=C3 |
Product Overview
5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-(pyridin-3-ylmethyl)aniline (CAS 445463-95-6), with molecular formula C17H21N5O4S and molecular weight 391.13 g/mol. IUPAC: 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-(pyridin-3-ylmethyl)aniline.
Chemical Property Profile of 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-(pyridin-3-ylmethyl)aniline
Property Insights of 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-(pyridin-3-ylmethyl)aniline
The XLogP value of 1.6835 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-(pyridin-3-ylmethyl)aniline. The TPSA of 108.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-(pyridin-3-ylmethyl)aniline. Following Lipinski's Rule of Five, 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-(pyridin-3-ylmethyl)aniline has 1 hydrogen bond donor(s) and 7 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 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-(pyridin-3-ylmethyl)aniline?
The CAS number of 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-(pyridin-3-ylmethyl)aniline is 445463-95-6.
What is the molecular formula of 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-(pyridin-3-ylmethyl)aniline?
The molecular formula of 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-(pyridin-3-ylmethyl)aniline is C17H21N5O4S.
What is the molecular weight of 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-(pyridin-3-ylmethyl)aniline?
The molecular weight of 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-(pyridin-3-ylmethyl)aniline is 391.13 g/mol.
Where can I buy 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-(pyridin-3-ylmethyl)aniline?
You can request a quote for 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-(pyridin-3-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-methylsulfonylpiperazin-1-yl)-2-nitro-N-(pyridin-3-ylmethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-(pyridin-3-ylmethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.