Alanine, N-benzoyl-3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)-
TL;DR: Alanine, N-benzoyl-3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)- (CAS 4252-37-3) is a chemical compound with molecular formula C20H22ClFN2O3 and molecular weight 392.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzamido-3-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]propanoic acid
Also Known As: NCIOpen2_009255, N-Benzoyl-3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)alanine, ALANINE, N-BENZOYL-3-(p-((2-CHLOROETHYL)(2-FLUOROETHYL)AMINO)PHENYL)-, N-Benzoyl-4-[(2-chloroethyl)(2-fluoroethyl)amino]phenylalani, 2-benzamido-3-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]propanoic acid
| Molecular Formula | C20H22ClFN2O3 |
|---|---|
| Molecular Weight | 392.13 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 392.1303 |
| Heavy Atoms | 27 |
| Complexity | 466.0 |
Chemical Identifiers
| CAS Number | 4252-37-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC(CC2=CC=C(C=C2)N(CCF)CCCl)C(=O)O |
| InChIKey | MMDMENBHDGFFBO-UHFFFAOYSA-N |
Product Overview
Alanine, N-benzoyl-3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)- (CAS 4252-37-3), with molecular formula C20H22ClFN2O3 and molecular weight 392.13 g/mol. IUPAC: 2-benzamido-3-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]propanoic acid.
Chemical Property Profile of Alanine, N-benzoyl-3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)-
Property Insights of Alanine, N-benzoyl-3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)-
The XLogP value of 3.8 indicates that Alanine, N-benzoyl-3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Alanine, N-benzoyl-3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)-. Following Lipinski's Rule of Five, Alanine, N-benzoyl-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, N-benzoyl-3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)-?
The CAS number of Alanine, N-benzoyl-3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)- is 4252-37-3.
What is the molecular formula of Alanine, N-benzoyl-3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)-?
The molecular formula of Alanine, N-benzoyl-3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)- is C20H22ClFN2O3.
What is the molecular weight of Alanine, N-benzoyl-3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)-?
The molecular weight of Alanine, N-benzoyl-3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)- is 392.13 g/mol.
Where can I buy Alanine, N-benzoyl-3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)-?
You can request a quote for Alanine, N-benzoyl-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, N-benzoyl-3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Alanine, N-benzoyl-3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.