Pyruvic acid, 3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)-
TL;DR: Pyruvic acid, 3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)- (CAS 4252-38-4) is a chemical compound with molecular formula C13H15ClFNO3 and molecular weight 287.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]-2-oxopropanoic acid
Also Known As: N-2-Chloroethyl-N-2-fluoroethyl-p-aminophenylpyruvic acid, Pyruvic acid, 3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)-, 3-(p-((2-Chloroethyl)(2-fluoroethyl)amino)phenyl)pyruvic acid, 3-[4-(2-chloroethyl- phenyl]-2-oxo-propanoicacid, 3-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]-2-oxopropanoic acid
| Molecular Formula | C13H15ClFNO3 |
|---|---|
| Molecular Weight | 287.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 287.07245 |
| Heavy Atoms | 19 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 4252-38-4 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(=O)C(=O)O)N(CCF)CCCl |
| InChIKey | BGUDHXALTNCDIJ-UHFFFAOYSA-N |
Product Overview
Pyruvic acid, 3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)- (CAS 4252-38-4), with molecular formula C13H15ClFNO3 and molecular weight 287.07 g/mol. IUPAC: 3-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]-2-oxopropanoic acid.
Chemical Property Profile of Pyruvic acid, 3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)-
Property Insights of Pyruvic acid, 3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyruvic acid, 3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)-. With a topological polar surface area (TPSA) of 57.6 Ų, Pyruvic acid, 3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyruvic acid, 3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)- has 1 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 Pyruvic acid, 3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)-?
The CAS number of Pyruvic acid, 3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)- is 4252-38-4.
What is the molecular formula of Pyruvic acid, 3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)-?
The molecular formula of Pyruvic acid, 3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)- is C13H15ClFNO3.
What is the molecular weight of Pyruvic acid, 3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)-?
The molecular weight of Pyruvic acid, 3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)- is 287.07 g/mol.
Where can I buy Pyruvic acid, 3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)-?
You can request a quote for Pyruvic acid, 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 Pyruvic acid, 3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Pyruvic acid, 3-(p-((2-chloroethyl)(2-fluoroethyl)amino)phenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.