Alanine, 3-(p-(bis(2-fluoroethyl)amino)phenyl)-
TL;DR: Alanine, 3-(p-(bis(2-fluoroethyl)amino)phenyl)- (CAS 4252-40-8) is a chemical compound with molecular formula C13H18F2N2O2 and molecular weight 272.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-3-[4-[bis(2-fluoroethyl)amino]phenyl]propanoic acid
Also Known As: Alanine, DL-, NCIOpen2_004522, 3-(p-(Bis(2-fluoroethyl)amino)phenyl)alanine, 4-[Bis(2-fluoroethyl)amino]phenylalanine, ALANINE, 3-(p-(BIS(2-FLUOROETHYL)AMINO)PHENYL)-
| Molecular Formula | C13H18F2N2O2 |
|---|---|
| Molecular Weight | 272.13 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 66.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 272.13364 |
| Heavy Atoms | 19 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 4252-40-8 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(C(=O)O)N)N(CCF)CCF |
| InChIKey | IQLKPDQPLGAXJF-UHFFFAOYSA-N |
Product Overview
Alanine, 3-(p-(bis(2-fluoroethyl)amino)phenyl)- (CAS 4252-40-8), with molecular formula C13H18F2N2O2 and molecular weight 272.13 g/mol. IUPAC: 2-amino-3-[4-[bis(2-fluoroethyl)amino]phenyl]propanoic acid.
Chemical Property Profile of Alanine, 3-(p-(bis(2-fluoroethyl)amino)phenyl)-
Property Insights of Alanine, 3-(p-(bis(2-fluoroethyl)amino)phenyl)-
The XLogP value of -1.0 indicates that Alanine, 3-(p-(bis(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-(bis(2-fluoroethyl)amino)phenyl)-. Following Lipinski's Rule of Five, Alanine, 3-(p-(bis(2-fluoroethyl)amino)phenyl)- has 2 hydrogen bond donor(s) and 6 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-(bis(2-fluoroethyl)amino)phenyl)-?
The CAS number of Alanine, 3-(p-(bis(2-fluoroethyl)amino)phenyl)- is 4252-40-8.
What is the molecular formula of Alanine, 3-(p-(bis(2-fluoroethyl)amino)phenyl)-?
The molecular formula of Alanine, 3-(p-(bis(2-fluoroethyl)amino)phenyl)- is C13H18F2N2O2.
What is the molecular weight of Alanine, 3-(p-(bis(2-fluoroethyl)amino)phenyl)-?
The molecular weight of Alanine, 3-(p-(bis(2-fluoroethyl)amino)phenyl)- is 272.13 g/mol.
Where can I buy Alanine, 3-(p-(bis(2-fluoroethyl)amino)phenyl)-?
You can request a quote for Alanine, 3-(p-(bis(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-(bis(2-fluoroethyl)amino)phenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Alanine, 3-(p-(bis(2-fluoroethyl)amino)phenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.