Hydrocinnamic acid, p-((2-chloroethyl)(2-fluoroethyl)amino)-
TL;DR: Hydrocinnamic acid, p-((2-chloroethyl)(2-fluoroethyl)amino)- (CAS 4235-44-3) is a chemical compound with molecular formula C13H17ClFNO2 and molecular weight 273.09 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]propanoic acid
Also Known As: HYDROCINNAMIC ACID, p-((2-CHLOROETHYL)(2-FLUOROETHYL)AMINO)-, p-((2-Chloroethyl)(2-fluoroethyl)amino)hydrocinnamic acid, 3-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]propanoic acid, 3-{4-[(2-chloroethyl)(2-fluoroethyl)amino]phenyl}propanoic acid, 3-[p-[(2-Chloroethyl)(2-fluoroethyl)amino]phenyl]propanoic acid
| Molecular Formula | C13H17ClFNO2 |
|---|---|
| Molecular Weight | 273.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 273.09317 |
| Heavy Atoms | 18 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 4235-44-3 |
|---|---|
| SMILES | C1=CC(=CC=C1CCC(=O)O)N(CCF)CCCl |
| InChIKey | ISVOODOMMXJJJL-UHFFFAOYSA-N |
Product Overview
Hydrocinnamic acid, p-((2-chloroethyl)(2-fluoroethyl)amino)- (CAS 4235-44-3), with molecular formula C13H17ClFNO2 and molecular weight 273.09 g/mol. IUPAC: 3-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]propanoic acid.
Chemical Property Profile of Hydrocinnamic acid, p-((2-chloroethyl)(2-fluoroethyl)amino)-
Property Insights of Hydrocinnamic acid, p-((2-chloroethyl)(2-fluoroethyl)amino)-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hydrocinnamic acid, p-((2-chloroethyl)(2-fluoroethyl)amino)-. With a topological polar surface area (TPSA) of 40.5 Ų, Hydrocinnamic acid, p-((2-chloroethyl)(2-fluoroethyl)amino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hydrocinnamic acid, p-((2-chloroethyl)(2-fluoroethyl)amino)- has 1 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 Hydrocinnamic acid, p-((2-chloroethyl)(2-fluoroethyl)amino)-?
The CAS number of Hydrocinnamic acid, p-((2-chloroethyl)(2-fluoroethyl)amino)- is 4235-44-3.
What is the molecular formula of Hydrocinnamic acid, p-((2-chloroethyl)(2-fluoroethyl)amino)-?
The molecular formula of Hydrocinnamic acid, p-((2-chloroethyl)(2-fluoroethyl)amino)- is C13H17ClFNO2.
What is the molecular weight of Hydrocinnamic acid, p-((2-chloroethyl)(2-fluoroethyl)amino)-?
The molecular weight of Hydrocinnamic acid, p-((2-chloroethyl)(2-fluoroethyl)amino)- is 273.09 g/mol.
Where can I buy Hydrocinnamic acid, p-((2-chloroethyl)(2-fluoroethyl)amino)-?
You can request a quote for Hydrocinnamic acid, p-((2-chloroethyl)(2-fluoroethyl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydrocinnamic acid, p-((2-chloroethyl)(2-fluoroethyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for Hydrocinnamic acid, p-((2-chloroethyl)(2-fluoroethyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.