Alanine, 3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)-
TL;DR: Alanine, 3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)- (CAS 1222-64-6) is a chemical compound with molecular formula C13H18ClFN2O2 and molecular weight 288.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]propanoic acid
Also Known As: NCIOpen2_004469, 3-(p-((2-Chloroethyl)(2-fluoroethyl)amino)phenyl)alanine, ALANINE, 3-(p-((2-CHLOROETHYL)(2-FLUOROETHYL)AMINO)PHENYL)-, 4-[(2-Chloroethyl)(2-fluoroethyl)amino]phenylalanine, DL-Phenylalanine, 4-[(2-chloroethyl)(2-fluoroethyl)amino]-
| Molecular Formula | C13H18ClFN2O2 |
|---|---|
| Molecular Weight | 288.10 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 66.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 288.1041 |
| Heavy Atoms | 19 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 1222-64-6 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(C(=O)O)N)N(CCF)CCCl |
| InChIKey | GOVSJKZCEOJJLF-UHFFFAOYSA-N |
Product Overview
Alanine, 3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)- (CAS 1222-64-6), with molecular formula C13H18ClFN2O2 and molecular weight 288.10 g/mol. IUPAC: 2-amino-3-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]propanoic acid.
Chemical Property Profile of Alanine, 3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)-
Property Insights of Alanine, 3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)-
The XLogP value of -0.8 indicates that Alanine, 3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Alanine, 3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)-. Following Lipinski's Rule of Five, Alanine, 3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)- has 2 hydrogen bond donor(s) and 5 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 Alanine, 3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)-?
The CAS number of Alanine, 3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)- is 1222-64-6.
What is the molecular formula of Alanine, 3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)-?
The molecular formula of Alanine, 3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)- is C13H18ClFN2O2.
What is the molecular weight of Alanine, 3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)-?
The molecular weight of Alanine, 3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)- is 288.10 g/mol.
Where can I buy Alanine, 3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)-?
You can request a quote for Alanine, 3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alanine, 3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Alanine, 3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.