Aniline, N,N-bis(2-chloroethyl)-p-fluoro-
TL;DR: Aniline, N,N-bis(2-chloroethyl)-p-fluoro- (CAS 22116-18-3) is a chemical compound with molecular formula C10H12Cl2FN and molecular weight 235.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-chloroethyl)-4-fluoroaniline
Also Known As: N,N-Bis(2-chloroethyl)-p-fluoroaniline, Benzenamine, N,N-bis(2-chloroethyl)-4-fluoro-, N,N-bis(2-chloroethyl)-4-fluoroaniline, ANILINE, N,N-BIS(2-CHLOROETHYL)-p-FLUORO-, N,N-di(2-chloroethyl)-4-fluoroaniline
| Molecular Formula | C10H12Cl2FN |
|---|---|
| Molecular Weight | 235.03 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 235.03308 |
| Heavy Atoms | 14 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 22116-18-3 |
|---|---|
| SMILES | C1=CC(=CC=C1N(CCCl)CCCl)F |
| InChIKey | WHBKJPHTKQXBNJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Aniline, N,N-bis(2-chloroethyl)-p-fluoro- (CAS 22116-18-3), with molecular formula C10H12Cl2FN and molecular weight 235.03 g/mol. IUPAC: N,N-bis(2-chloroethyl)-4-fluoroaniline.
Chemical Property Profile of Aniline, N,N-bis(2-chloroethyl)-p-fluoro-
Property Insights of Aniline, N,N-bis(2-chloroethyl)-p-fluoro-
The XLogP value of 3.0 indicates that Aniline, N,N-bis(2-chloroethyl)-p-fluoro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, Aniline, N,N-bis(2-chloroethyl)-p-fluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Aniline, N,N-bis(2-chloroethyl)-p-fluoro- has 0 hydrogen bond donor(s) and 2 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 Aniline, N,N-bis(2-chloroethyl)-p-fluoro-?
The CAS number of Aniline, N,N-bis(2-chloroethyl)-p-fluoro- is 22116-18-3.
What is the molecular formula of Aniline, N,N-bis(2-chloroethyl)-p-fluoro-?
The molecular formula of Aniline, N,N-bis(2-chloroethyl)-p-fluoro- is C10H12Cl2FN.
What is the molecular weight of Aniline, N,N-bis(2-chloroethyl)-p-fluoro-?
The molecular weight of Aniline, N,N-bis(2-chloroethyl)-p-fluoro- is 235.03 g/mol.
Where can I buy Aniline, N,N-bis(2-chloroethyl)-p-fluoro-?
You can request a quote for Aniline, N,N-bis(2-chloroethyl)-p-fluoro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aniline, N,N-bis(2-chloroethyl)-p-fluoro-?
Yes, KEHONG BIO provides custom synthesis services for Aniline, N,N-bis(2-chloroethyl)-p-fluoro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.