Acetanilide, 2-(bis(2-chloroethyl)amino)-N-methyl-, hydrochloride
TL;DR: Acetanilide, 2-(bis(2-chloroethyl)amino)-N-methyl-, hydrochloride (CAS 1603-09-4) is a chemical compound with molecular formula C13H19Cl3N2O and molecular weight 324.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-chloroethyl)-[2-(N-methylanilino)-2-oxoethyl]azanium chloride
Also Known As: 2-(Bis(2-chloroethyl)amino)-N-methyl acetanilide hydrochloride, ACETANILIDE, 2-(BIS(2-CHLOROETHYL)AMINO)-N-METHYL-, HYDROCHLORIDE, Acetanilide,2-(bis(2-chloroethyl)amino)-N-methyl-hcl, ACETANILIDE,2-(BIS(2-CHLOROETHYL)AMINO)-N-METHYL- HCL, bis(2-chloroethyl)-[2-(N-methylanilino)-2-oxoethyl]azanium chloride
| Molecular Formula | C13H19Cl3N2O |
|---|---|
| Molecular Weight | 324.06 g/mol |
| LogP | -1.98 |
| Topological Polar Surface Area | 24.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 324.0563 |
| Heavy Atoms | 19 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 1603-09-4 |
|---|---|
| SMILES | CN(C1=CC=CC=C1)C(=O)C[NH+](CCCl)CCCl.[Cl-] |
| InChIKey | ICWUNMJSUFZPJB-UHFFFAOYSA-N |
Product Overview
Acetanilide, 2-(bis(2-chloroethyl)amino)-N-methyl-, hydrochloride (CAS 1603-09-4), with molecular formula C13H19Cl3N2O and molecular weight 324.06 g/mol. IUPAC: bis(2-chloroethyl)-[2-(N-methylanilino)-2-oxoethyl]azanium chloride.
Chemical Property Profile of Acetanilide, 2-(bis(2-chloroethyl)amino)-N-methyl-, hydrochloride
Property Insights of Acetanilide, 2-(bis(2-chloroethyl)amino)-N-methyl-, hydrochloride
The XLogP value of -1.98 indicates that Acetanilide, 2-(bis(2-chloroethyl)amino)-N-methyl-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 24.8 Ų, Acetanilide, 2-(bis(2-chloroethyl)amino)-N-methyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetanilide, 2-(bis(2-chloroethyl)amino)-N-methyl-, hydrochloride has 1 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 Acetanilide, 2-(bis(2-chloroethyl)amino)-N-methyl-, hydrochloride?
The CAS number of Acetanilide, 2-(bis(2-chloroethyl)amino)-N-methyl-, hydrochloride is 1603-09-4.
What is the molecular formula of Acetanilide, 2-(bis(2-chloroethyl)amino)-N-methyl-, hydrochloride?
The molecular formula of Acetanilide, 2-(bis(2-chloroethyl)amino)-N-methyl-, hydrochloride is C13H19Cl3N2O.
What is the molecular weight of Acetanilide, 2-(bis(2-chloroethyl)amino)-N-methyl-, hydrochloride?
The molecular weight of Acetanilide, 2-(bis(2-chloroethyl)amino)-N-methyl-, hydrochloride is 324.06 g/mol.
Where can I buy Acetanilide, 2-(bis(2-chloroethyl)amino)-N-methyl-, hydrochloride?
You can request a quote for Acetanilide, 2-(bis(2-chloroethyl)amino)-N-methyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetanilide, 2-(bis(2-chloroethyl)amino)-N-methyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Acetanilide, 2-(bis(2-chloroethyl)amino)-N-methyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.