4-methylsulfonyl-N-(2-morpholin-4-ylethyl)-2-nitroaniline
TL;DR: 4-methylsulfonyl-N-(2-morpholin-4-ylethyl)-2-nitroaniline (CAS 852304-83-7) is a chemical compound with molecular formula C13H19N3O5S and molecular weight 329.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylsulfonyl-N-(2-morpholin-4-ylethyl)-2-nitroaniline
Also Known As: 4-methylsulfonyl-N-(2-morpholin-4-ylethyl)-2-nitroaniline, 4-methylsulfonyl-N-(2-morpholin-4-ylethyl)-2-nitro-aniline, 4-(Methanesulfonyl)-N-[2-(morpholin-4-yl)ethyl]-2-nitroaniline
| Molecular Formula | C13H19N3O5S |
|---|---|
| Molecular Weight | 329.10 g/mol |
| LogP | 0.7424 |
| Topological Polar Surface Area | 101.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 329.10455 |
| Heavy Atoms | 22 |
| Complexity | 641.0757 |
Chemical Identifiers
| CAS Number | 852304-83-7 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC(=C(C=C1)NCCN2CCOCC2)[N+](=O)[O-] |
Product Overview
4-methylsulfonyl-N-(2-morpholin-4-ylethyl)-2-nitroaniline (CAS 852304-83-7), with molecular formula C13H19N3O5S and molecular weight 329.10 g/mol. IUPAC: 4-methylsulfonyl-N-(2-morpholin-4-ylethyl)-2-nitroaniline.
Chemical Property Profile of 4-methylsulfonyl-N-(2-morpholin-4-ylethyl)-2-nitroaniline
Property Insights of 4-methylsulfonyl-N-(2-morpholin-4-ylethyl)-2-nitroaniline
The XLogP value of 0.7424 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methylsulfonyl-N-(2-morpholin-4-ylethyl)-2-nitroaniline. The TPSA of 101.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methylsulfonyl-N-(2-morpholin-4-ylethyl)-2-nitroaniline. Following Lipinski's Rule of Five, 4-methylsulfonyl-N-(2-morpholin-4-ylethyl)-2-nitroaniline 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 4-methylsulfonyl-N-(2-morpholin-4-ylethyl)-2-nitroaniline?
The CAS number of 4-methylsulfonyl-N-(2-morpholin-4-ylethyl)-2-nitroaniline is 852304-83-7.
What is the molecular formula of 4-methylsulfonyl-N-(2-morpholin-4-ylethyl)-2-nitroaniline?
The molecular formula of 4-methylsulfonyl-N-(2-morpholin-4-ylethyl)-2-nitroaniline is C13H19N3O5S.
What is the molecular weight of 4-methylsulfonyl-N-(2-morpholin-4-ylethyl)-2-nitroaniline?
The molecular weight of 4-methylsulfonyl-N-(2-morpholin-4-ylethyl)-2-nitroaniline is 329.10 g/mol.
Where can I buy 4-methylsulfonyl-N-(2-morpholin-4-ylethyl)-2-nitroaniline?
You can request a quote for 4-methylsulfonyl-N-(2-morpholin-4-ylethyl)-2-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methylsulfonyl-N-(2-morpholin-4-ylethyl)-2-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-methylsulfonyl-N-(2-morpholin-4-ylethyl)-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.