4-methylsulfonyl-2-nitro-N-(2-pyridin-2-ylethyl)aniline
TL;DR: 4-methylsulfonyl-2-nitro-N-(2-pyridin-2-ylethyl)aniline (CAS 852223-39-3) is a chemical compound with molecular formula C14H15N3O4S and molecular weight 321.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylsulfonyl-2-nitro-N-(2-pyridin-2-ylethyl)aniline
Also Known As: 4-methylsulfonyl-2-nitro-N-(2-pyridin-2-ylethyl)aniline, 4-(Methanesulfonyl)-2-nitro-N-[2-(pyridin-2-yl)ethyl]aniline
| Molecular Formula | C14H15N3O4S |
|---|---|
| Molecular Weight | 321.08 g/mol |
| LogP | 2.0479 |
| Topological Polar Surface Area | 102.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 321.07834 |
| Heavy Atoms | 22 |
| Complexity | 775.9299 |
Chemical Identifiers
| CAS Number | 852223-39-3 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC(=C(C=C1)NCCC2=CC=CC=N2)[N+](=O)[O-] |
Product Overview
4-methylsulfonyl-2-nitro-N-(2-pyridin-2-ylethyl)aniline (CAS 852223-39-3), with molecular formula C14H15N3O4S and molecular weight 321.08 g/mol. IUPAC: 4-methylsulfonyl-2-nitro-N-(2-pyridin-2-ylethyl)aniline.
Chemical Property Profile of 4-methylsulfonyl-2-nitro-N-(2-pyridin-2-ylethyl)aniline
Property Insights of 4-methylsulfonyl-2-nitro-N-(2-pyridin-2-ylethyl)aniline
The XLogP value of 2.0479 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methylsulfonyl-2-nitro-N-(2-pyridin-2-ylethyl)aniline. The TPSA of 102.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methylsulfonyl-2-nitro-N-(2-pyridin-2-ylethyl)aniline. Following Lipinski's Rule of Five, 4-methylsulfonyl-2-nitro-N-(2-pyridin-2-ylethyl)aniline has 1 hydrogen bond donor(s) and 6 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 4-methylsulfonyl-2-nitro-N-(2-pyridin-2-ylethyl)aniline?
The CAS number of 4-methylsulfonyl-2-nitro-N-(2-pyridin-2-ylethyl)aniline is 852223-39-3.
What is the molecular formula of 4-methylsulfonyl-2-nitro-N-(2-pyridin-2-ylethyl)aniline?
The molecular formula of 4-methylsulfonyl-2-nitro-N-(2-pyridin-2-ylethyl)aniline is C14H15N3O4S.
What is the molecular weight of 4-methylsulfonyl-2-nitro-N-(2-pyridin-2-ylethyl)aniline?
The molecular weight of 4-methylsulfonyl-2-nitro-N-(2-pyridin-2-ylethyl)aniline is 321.08 g/mol.
Where can I buy 4-methylsulfonyl-2-nitro-N-(2-pyridin-2-ylethyl)aniline?
You can request a quote for 4-methylsulfonyl-2-nitro-N-(2-pyridin-2-ylethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methylsulfonyl-2-nitro-N-(2-pyridin-2-ylethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-methylsulfonyl-2-nitro-N-(2-pyridin-2-ylethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.