![[2-[4-[Bis(2-chloroethyl)amino]phenyl]-1-carboxyethyl]azanium chloride structure](/static/products/1346/13469-52-8.webp)
[2-[4-[Bis(2-chloroethyl)amino]phenyl]-1-carboxyethyl]azanium chloride
TL;DR: [2-[4-[Bis(2-chloroethyl)amino]phenyl]-1-carboxyethyl]azanium chloride (CAS 13469-52-8) is a chemical compound with molecular formula C13H19Cl3N2O2 and molecular weight 340.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[4-[bis(2-chloroethyl)amino]phenyl]-1-carboxyethyl]azanium chloride
Also Known As: Sarkoklorin, Sarkolizin, Alkeran (Russian), Melphalan (Russian), Medphalan hydrochloride
| Molecular Formula | C13H19Cl3N2O2 |
|---|---|
| Molecular Weight | 340.05 g/mol |
| LogP | -1.79 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 340.0512 |
| Heavy Atoms | 20 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 13469-52-8 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(C(=O)O)[NH3+])N(CCCl)CCCl.[Cl-] |
| InChIKey | OUUYBRCCFUEMLH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
[2-[4-[Bis(2-chloroethyl)amino]phenyl]-1-carboxyethyl]azanium chloride (CAS 13469-52-8), with molecular formula C13H19Cl3N2O2 and molecular weight 340.05 g/mol. IUPAC: [2-[4-[bis(2-chloroethyl)amino]phenyl]-1-carboxyethyl]azanium chloride.
Chemical Property Profile of [2-[4-[Bis(2-chloroethyl)amino]phenyl]-1-carboxyethyl]azanium chloride
Property Insights of [2-[4-[Bis(2-chloroethyl)amino]phenyl]-1-carboxyethyl]azanium chloride
The XLogP value of -1.79 indicates that [2-[4-[Bis(2-chloroethyl)amino]phenyl]-1-carboxyethyl]azanium chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-[4-[Bis(2-chloroethyl)amino]phenyl]-1-carboxyethyl]azanium chloride. Following Lipinski's Rule of Five, [2-[4-[Bis(2-chloroethyl)amino]phenyl]-1-carboxyethyl]azanium chloride has 2 hydrogen bond donor(s) and 4 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 [2-[4-[Bis(2-chloroethyl)amino]phenyl]-1-carboxyethyl]azanium chloride?
The CAS number of [2-[4-[Bis(2-chloroethyl)amino]phenyl]-1-carboxyethyl]azanium chloride is 13469-52-8.
What is the molecular formula of [2-[4-[Bis(2-chloroethyl)amino]phenyl]-1-carboxyethyl]azanium chloride?
The molecular formula of [2-[4-[Bis(2-chloroethyl)amino]phenyl]-1-carboxyethyl]azanium chloride is C13H19Cl3N2O2.
What is the molecular weight of [2-[4-[Bis(2-chloroethyl)amino]phenyl]-1-carboxyethyl]azanium chloride?
The molecular weight of [2-[4-[Bis(2-chloroethyl)amino]phenyl]-1-carboxyethyl]azanium chloride is 340.05 g/mol.
Where can I buy [2-[4-[Bis(2-chloroethyl)amino]phenyl]-1-carboxyethyl]azanium chloride?
You can request a quote for [2-[4-[Bis(2-chloroethyl)amino]phenyl]-1-carboxyethyl]azanium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-[4-[Bis(2-chloroethyl)amino]phenyl]-1-carboxyethyl]azanium chloride?
Yes, KEHONG BIO provides custom synthesis services for [2-[4-[Bis(2-chloroethyl)amino]phenyl]-1-carboxyethyl]azanium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.