Acetanilide, 4'-(bis(2-chloroethyl)amino)-2-fluoro-
TL;DR: Acetanilide, 4'-(bis(2-chloroethyl)amino)-2-fluoro- (CAS 1492-93-9) is a chemical compound with molecular formula C12H15Cl2FN2O and molecular weight 292.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[bis(2-chloroethyl)amino]phenyl]-2-fluoroacetamide
Also Known As: p-Fluoroacetylaminophenyl derivative of nitrogen mustard, N-[4-[bis(2-chloroethyl)amino]phenyl]-2-fluoroacetamide, ACETANILIDE, 4'-(BIS(2-CHLOROETHYL)AMINO)-2-FLUORO-, Fluoroacetyl-N-(p-aminophenyl)-nitrogen mustard, 4'-(Bis(2-chloroethyl)amino)-2-fluoroacetanidide
| Molecular Formula | C12H15Cl2FN2O |
|---|---|
| Molecular Weight | 292.05 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 292.05453 |
| Heavy Atoms | 18 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 1492-93-9 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)CF)N(CCCl)CCCl |
| InChIKey | HTONHMWVXDSAHU-UHFFFAOYSA-N |
Product Overview
Acetanilide, 4'-(bis(2-chloroethyl)amino)-2-fluoro- (CAS 1492-93-9), with molecular formula C12H15Cl2FN2O and molecular weight 292.05 g/mol. IUPAC: N-[4-[bis(2-chloroethyl)amino]phenyl]-2-fluoroacetamide.
Chemical Property Profile of Acetanilide, 4'-(bis(2-chloroethyl)amino)-2-fluoro-
Property Insights of Acetanilide, 4'-(bis(2-chloroethyl)amino)-2-fluoro-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetanilide, 4'-(bis(2-chloroethyl)amino)-2-fluoro-. With a topological polar surface area (TPSA) of 32.3 Ų, Acetanilide, 4'-(bis(2-chloroethyl)amino)-2-fluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetanilide, 4'-(bis(2-chloroethyl)amino)-2-fluoro- has 1 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 Acetanilide, 4'-(bis(2-chloroethyl)amino)-2-fluoro-?
The CAS number of Acetanilide, 4'-(bis(2-chloroethyl)amino)-2-fluoro- is 1492-93-9.
What is the molecular formula of Acetanilide, 4'-(bis(2-chloroethyl)amino)-2-fluoro-?
The molecular formula of Acetanilide, 4'-(bis(2-chloroethyl)amino)-2-fluoro- is C12H15Cl2FN2O.
What is the molecular weight of Acetanilide, 4'-(bis(2-chloroethyl)amino)-2-fluoro-?
The molecular weight of Acetanilide, 4'-(bis(2-chloroethyl)amino)-2-fluoro- is 292.05 g/mol.
Where can I buy Acetanilide, 4'-(bis(2-chloroethyl)amino)-2-fluoro-?
You can request a quote for Acetanilide, 4'-(bis(2-chloroethyl)amino)-2-fluoro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetanilide, 4'-(bis(2-chloroethyl)amino)-2-fluoro-?
Yes, KEHONG BIO provides custom synthesis services for Acetanilide, 4'-(bis(2-chloroethyl)amino)-2-fluoro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.