N,N-Bis(2-chloroethyl)-4-methylsulfonylaniline
TL;DR: N,N-Bis(2-chloroethyl)-4-methylsulfonylaniline (CAS 20223-77-2) is a chemical compound with molecular formula C11H15Cl2NO2S and molecular weight 295.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-chloroethyl)-4-methylsulfonylaniline
Also Known As: N,N-Bis(2-chloroethyl)-4-methylsulfonylaniline, Aniline, N,N-bis(2-chloroethyl)-p-(methylsulfonyl)-, Benzenamine, N,N-bis(2-chloroethyl)-4-(methylsulfonyl)-, N,N-Bis(2-chloroethyl)-4-(methanesulfonyl)aniline, N,N-Bis(2-chloroethyl)-4-methylsulfonylbenzenamine
| Molecular Formula | C11H15Cl2NO2S |
|---|---|
| Molecular Weight | 295.02 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 295.02005 |
| Heavy Atoms | 17 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 20223-77-2 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC=C(C=C1)N(CCCl)CCCl |
| InChIKey | WBGQEICPQLDNPH-UHFFFAOYSA-N |
Product Overview
N,N-Bis(2-chloroethyl)-4-methylsulfonylaniline (CAS 20223-77-2), with molecular formula C11H15Cl2NO2S and molecular weight 295.02 g/mol. IUPAC: N,N-bis(2-chloroethyl)-4-methylsulfonylaniline.
Chemical Property Profile of N,N-Bis(2-chloroethyl)-4-methylsulfonylaniline
Property Insights of N,N-Bis(2-chloroethyl)-4-methylsulfonylaniline
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-Bis(2-chloroethyl)-4-methylsulfonylaniline. With a topological polar surface area (TPSA) of 45.8 Ų, N,N-Bis(2-chloroethyl)-4-methylsulfonylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Bis(2-chloroethyl)-4-methylsulfonylaniline has 0 hydrogen bond donor(s) and 3 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,N-Bis(2-chloroethyl)-4-methylsulfonylaniline?
The CAS number of N,N-Bis(2-chloroethyl)-4-methylsulfonylaniline is 20223-77-2.
What is the molecular formula of N,N-Bis(2-chloroethyl)-4-methylsulfonylaniline?
The molecular formula of N,N-Bis(2-chloroethyl)-4-methylsulfonylaniline is C11H15Cl2NO2S.
What is the molecular weight of N,N-Bis(2-chloroethyl)-4-methylsulfonylaniline?
The molecular weight of N,N-Bis(2-chloroethyl)-4-methylsulfonylaniline is 295.02 g/mol.
Where can I buy N,N-Bis(2-chloroethyl)-4-methylsulfonylaniline?
You can request a quote for N,N-Bis(2-chloroethyl)-4-methylsulfonylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Bis(2-chloroethyl)-4-methylsulfonylaniline?
Yes, KEHONG BIO provides custom synthesis services for N,N-Bis(2-chloroethyl)-4-methylsulfonylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.