n-Allyl-4-(methylsulfonyl)-2-nitroaniline
TL;DR: n-Allyl-4-(methylsulfonyl)-2-nitroaniline (CAS 852222-69-6) is a chemical compound with molecular formula C10H12N2O4S and molecular weight 256.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylsulfonyl-2-nitro-N-prop-2-enylaniline
Also Known As: n-Allyl-4-(methylsulfonyl)-2-nitroaniline, 4-methylsulfonyl-2-nitro-N-prop-2-enylaniline
| Molecular Formula | C10H12N2O4S |
|---|---|
| Molecular Weight | 256.05 g/mol |
| LogP | 1.5962 |
| Topological Polar Surface Area | 89.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 256.0518 |
| Heavy Atoms | 17 |
| Complexity | 551.4244 |
Chemical Identifiers
| CAS Number | 852222-69-6 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC(=C(C=C1)NCC=C)[N+](=O)[O-] |
Product Overview
n-Allyl-4-(methylsulfonyl)-2-nitroaniline (CAS 852222-69-6), with molecular formula C10H12N2O4S and molecular weight 256.05 g/mol. IUPAC: 4-methylsulfonyl-2-nitro-N-prop-2-enylaniline.
Chemical Property Profile of n-Allyl-4-(methylsulfonyl)-2-nitroaniline
Property Insights of n-Allyl-4-(methylsulfonyl)-2-nitroaniline
The XLogP value of 1.5962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-Allyl-4-(methylsulfonyl)-2-nitroaniline. The TPSA of 89.31 Ų falls within the moderate polarity range, balancing permeability and solubility for n-Allyl-4-(methylsulfonyl)-2-nitroaniline. Following Lipinski's Rule of Five, n-Allyl-4-(methylsulfonyl)-2-nitroaniline has 1 hydrogen bond donor(s) and 5 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 n-Allyl-4-(methylsulfonyl)-2-nitroaniline?
The CAS number of n-Allyl-4-(methylsulfonyl)-2-nitroaniline is 852222-69-6.
What is the molecular formula of n-Allyl-4-(methylsulfonyl)-2-nitroaniline?
The molecular formula of n-Allyl-4-(methylsulfonyl)-2-nitroaniline is C10H12N2O4S.
What is the molecular weight of n-Allyl-4-(methylsulfonyl)-2-nitroaniline?
The molecular weight of n-Allyl-4-(methylsulfonyl)-2-nitroaniline is 256.05 g/mol.
Where can I buy n-Allyl-4-(methylsulfonyl)-2-nitroaniline?
You can request a quote for n-Allyl-4-(methylsulfonyl)-2-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-Allyl-4-(methylsulfonyl)-2-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for n-Allyl-4-(methylsulfonyl)-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.